data_PRDCC_002467
# 
_chem_comp.id                                    PRD_002467 
_chem_comp.name                                  "Mycoplanecin A" 
_chem_comp.formula                               "C61 H102 N10 O13" 
_chem_comp.formula_weight                        1183.522 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_002467 C1   C1   C 0 1 N N N 28.896 2.267   -0.205 -10.032 -3.024 2.663  2KT 1  C4   polymer 1 1 1   ? ? ? 
PRD_002467 C2   C2   C 0 1 N N N 28.883 1.889   1.252  -9.431  -2.691 1.296  2KT 1  C3   polymer 1 1 2   ? ? ? 
PRD_002467 C3   C3   C 0 1 N N N 28.372 0.491   1.489  -8.590  -1.446 1.406  2KT 1  C2   polymer 1 1 3   ? ? ? 
PRD_002467 O1   O1   O 0 1 N N N 28.931 -0.433  0.901  -8.483  -0.881 2.468  2KT 1  O3   polymer 1 1 4   ? ? ? 
PRD_002467 C4   C4   C 0 1 N N N 27.273 0.200   2.393  -7.891  -0.909 0.203  2KT 1  C    polymer 1 1 5   ? ? ? 
PRD_002467 O2   O2   O 0 1 N N N 27.305 0.709   3.511  -7.953  -1.506 -0.852 2KT 1  O    polymer 1 1 6   ? ? ? 
PRD_002467 N1   N1   N 0 1 N N N 26.250 -0.615  2.030  -7.190  0.238  0.287  MVA 2  N    polymer 1 1 7   ? ? ? 
PRD_002467 C5   C5   C 0 1 N N N 26.023 -0.970  0.640  -7.009  0.893  1.586  MVA 2  CN   polymer 1 1 8   ? ? ? 
PRD_002467 C6   C6   C 0 1 N N S 25.292 -1.163  3.022  -6.609  0.832  -0.919 MVA 2  CA   polymer 1 1 9   ? ? ? 
PRD_002467 C7   C7   C 0 1 N N N 23.903 -0.511  2.887  -7.261  2.190  -1.185 MVA 2  CB   polymer 1 1 10  ? ? ? 
PRD_002467 C8   C8   C 0 1 N N N 24.012 1.001   2.766  -8.778  2.016  -1.289 MVA 2  CG1  polymer 1 1 11  ? ? ? 
PRD_002467 C9   C9   C 0 1 N N N 23.002 -0.889  4.053  -6.936  3.146  -0.035 MVA 2  CG2  polymer 1 1 12  ? ? ? 
PRD_002467 C10  C10  C 0 1 N N N 25.180 -2.682  2.904  -5.126  1.017  -0.725 MVA 2  C    polymer 1 1 13  ? ? ? 
PRD_002467 O3   O3   O 0 1 N N N 24.167 -3.212  2.459  -4.657  1.019  0.394  MVA 2  O    polymer 1 1 14  ? ? ? 
PRD_002467 C11  C11  C 0 1 N N N 25.008 -5.363  4.195  -2.419  2.410  -0.895 V3C 3  C    polymer 1 1 15  ? ? ? 
PRD_002467 C12  C12  C 0 1 N N S 26.136 -4.881  3.282  -2.853  1.253  -1.757 V3C 3  CA   polymer 1 1 16  ? ? ? 
PRD_002467 C13  C13  C 0 1 N N N 27.525 -5.323  3.759  -2.368  1.467  -3.206 V3C 3  CB   polymer 1 1 17  ? ? ? 
PRD_002467 C14  C14  C 0 1 N N R 28.037 -4.142  4.601  -3.617  2.069  -3.904 V3C 3  CG   polymer 1 1 18  ? ? ? 
PRD_002467 C15  C15  C 0 1 N N N 27.515 -2.933  3.821  -4.766  1.312  -3.192 V3C 3  CD   polymer 1 1 19  ? ? ? 
PRD_002467 C16  C16  C 0 1 N N N 29.548 -4.164  4.849  -3.606  1.765  -5.404 V3C 3  C53  polymer 1 1 20  ? ? ? 
PRD_002467 C17  C17  C 0 1 N N N 30.065 -2.973  5.637  -4.782  2.476  -6.076 V3C 3  C56  polymer 1 1 21  ? ? ? 
PRD_002467 N2   N2   N 0 1 N N N 26.220 -3.417  3.314  -4.321  1.179  -1.793 V3C 3  N    polymer 1 1 22  ? ? ? 
PRD_002467 O4   O4   O 0 1 N N N 24.426 -4.587  4.953  -3.221  3.260  -0.572 V3C 3  O    polymer 1 1 23  ? ? ? 
PRD_002467 N3   N3   N 0 1 N N N 24.658 -6.662  4.103  -1.139  2.500  -0.482 NZC 4  N    polymer 1 1 24  ? ? ? 
PRD_002467 O5   O5   O 0 1 N N N 24.927 -8.869  5.726  1.256   2.586  1.147  NZC 4  O    polymer 1 1 25  ? ? ? 
PRD_002467 O6   O6   O 0 1 N N N 22.720 -8.978  3.433  -1.979  2.115  1.867  NZC 4  OG1  polymer 1 1 26  ? ? ? 
PRD_002467 C18  C18  C 0 1 N N N 23.860 -8.267  5.827  0.770   3.549  0.592  NZC 4  C    polymer 1 1 27  ? ? ? 
PRD_002467 C19  C19  C 0 1 N N S 23.503 -7.149  4.845  -0.727  3.599  0.395  NZC 4  CA   polymer 1 1 28  ? ? ? 
PRD_002467 C20  C20  C 0 1 N N R 22.384 -7.639  3.908  -1.420  3.449  1.753  NZC 4  CB   polymer 1 1 29  ? ? ? 
PRD_002467 C21  C21  C 0 1 N N N 22.217 -6.745  2.699  -2.545  4.482  1.860  NZC 4  CG2  polymer 1 1 30  ? ? ? 
PRD_002467 C22  C22  C 0 1 N N N 25.377 -7.619  3.281  -0.159  1.499  -0.910 NZC 4  C40  polymer 1 1 31  ? ? ? 
PRD_002467 N4   N4   N 0 1 N N N 22.955 -8.536  6.773  1.515   4.593  0.134  LEU 5  N    polymer 1 1 32  ? ? ? 
PRD_002467 C23  C23  C 0 1 N N S 22.925 -9.814  7.466  2.976   4.571  0.333  LEU 5  CA   polymer 1 1 33  ? ? ? 
PRD_002467 C24  C24  C 0 1 N N N 23.002 -10.892 6.386  3.573   3.394  -0.383 LEU 5  C    polymer 1 1 34  ? ? ? 
PRD_002467 O7   O7   O 0 1 N N N 22.302 -10.819 5.383  2.893   2.425  -0.656 LEU 5  O    polymer 1 1 35  ? ? ? 
PRD_002467 C25  C25  C 0 1 N N N 21.673 -9.941  8.336  3.311   4.519  1.826  LEU 5  CB   polymer 1 1 36  ? ? ? 
PRD_002467 C26  C26  C 0 1 N N N 21.824 -9.440  9.773  2.783   5.781  2.510  LEU 5  CG   polymer 1 1 37  ? ? ? 
PRD_002467 C27  C27  C 0 1 N N N 22.583 -8.125  9.825  3.018   5.679  4.019  LEU 5  CD1  polymer 1 1 38  ? ? ? 
PRD_002467 C28  C28  C 0 1 N N N 20.463 -9.286  10.439 3.519   7.005  1.961  LEU 5  CD2  polymer 1 1 39  ? ? ? 
PRD_002467 C29  C29  C 0 1 N N N 22.881 -14.024 5.696  5.229   0.974  -0.672 MP8 6  C    polymer 1 1 40  ? ? ? 
PRD_002467 N5   N5   N 0 1 N N N 23.867 -11.901 6.555  4.871   3.391  -0.751 MP8 6  N    polymer 1 1 41  ? ? ? 
PRD_002467 O8   O8   O 0 1 N N N 23.161 -15.164 6.065  4.861   1.005  0.480  MP8 6  O    polymer 1 1 42  ? ? ? 
PRD_002467 C30  C30  C 0 1 N N S 23.974 -12.967 5.555  5.580   2.269  -1.371 MP8 6  CA   polymer 1 1 43  ? ? ? 
PRD_002467 C31  C31  C 0 1 N N N 25.359 -13.550 5.864  7.082   2.528  -1.232 MP8 6  CB   polymer 1 1 44  ? ? ? 
PRD_002467 C32  C32  C 0 1 N N N 24.809 -12.085 7.672  5.797   4.518  -0.624 MP8 6  CD   polymer 1 1 45  ? ? ? 
PRD_002467 C33  C33  C 0 1 N N N 26.767 -13.688 8.027  8.071   4.804  -1.651 MP8 6  CE   polymer 1 1 46  ? ? ? 
PRD_002467 C34  C34  C 0 1 N N R 25.402 -13.473 7.399  7.226   3.959  -0.696 MP8 6  CG   polymer 1 1 47  ? ? ? 
PRD_002467 N6   N6   N 0 1 N N N 21.639 -13.657 5.351  5.358   -0.188 -1.381 HLX 7  N    polymer 1 1 48  ? ? ? 
PRD_002467 C35  C35  C 0 1 N N S 20.591 -14.635 5.104  5.497   -1.445 -0.618 HLX 7  CA   polymer 1 1 49  ? ? ? 
PRD_002467 C36  C36  C 0 1 N N N 21.017 -15.469 3.890  4.195   -1.810 0.050  HLX 7  C    polymer 1 1 50  ? ? ? 
PRD_002467 O9   O9   O 0 1 N N N 21.846 -15.015 3.098  3.421   -0.933 0.339  HLX 7  O    polymer 1 1 51  ? ? ? 
PRD_002467 C37  C37  C 0 1 N N N 19.231 -13.990 4.853  6.600   -1.306 0.432  HLX 7  CB   polymer 1 1 52  ? ? ? 
PRD_002467 C38  C38  C 0 1 N N N 18.581 -13.372 6.084  7.948   -1.115 -0.267 HLX 7  CG   polymer 1 1 53  ? ? ? 
PRD_002467 C39  C39  C 0 1 N N N 19.208 -12.085 6.617  9.051   -0.975 0.783  HLX 7  C7   polymer 1 1 54  ? ? ? 
PRD_002467 C40  C40  C 0 1 N N N 18.429 -11.549 7.810  9.182   -2.285 1.563  HLX 7  C8   polymer 1 1 55  ? ? ? 
PRD_002467 C41  C41  C 0 1 N N N 19.308 -11.023 5.531  10.378  -0.660 0.090  HLX 7  C9   polymer 1 1 56  ? ? ? 
PRD_002467 N7   N7   N 0 1 N N N 20.446 -16.682 3.728  3.936   -3.119 0.319  MVA 8  N    polymer 1 1 57  ? ? ? 
PRD_002467 C42  C42  C 0 1 N N N 19.536 -17.315 4.698  4.035   -3.698 1.655  MVA 8  CN   polymer 1 1 58  ? ? ? 
PRD_002467 C43  C43  C 0 1 N N S 21.006 -17.622 2.721  3.516   -3.927 -0.849 MVA 8  CA   polymer 1 1 59  ? ? ? 
PRD_002467 C44  C44  C 0 1 N N N 21.880 -18.690 3.412  4.440   -5.121 -1.041 MVA 8  CB   polymer 1 1 60  ? ? ? 
PRD_002467 C45  C45  C 0 1 N N N 22.758 -18.085 4.497  3.980   -5.933 -2.254 MVA 8  CG1  polymer 1 1 61  ? ? ? 
PRD_002467 C46  C46  C 0 1 N N N 22.731 -19.445 2.403  5.870   -4.628 -1.271 MVA 8  CG2  polymer 1 1 62  ? ? ? 
PRD_002467 C47  C47  C 0 1 N N N 19.920 -18.292 1.882  2.084   -4.324 -0.729 MVA 8  C    polymer 1 1 63  ? ? ? 
PRD_002467 O10  O10  O 0 1 N N N 19.652 -19.478 2.038  1.270   -3.673 -1.383 MVA 8  O    polymer 1 1 64  ? ? ? 
PRD_002467 N8   N8   N 0 1 N N N 19.291 -17.568 0.947  1.582   -5.329 0.005  PRO 9  N    polymer 1 1 65  ? ? ? 
PRD_002467 C48  C48  C 0 1 N N S 19.905 -16.451 0.228  0.151   -5.443 0.354  PRO 9  CA   polymer 1 1 66  ? ? ? 
PRD_002467 C49  C49  C 0 1 N N N 19.611 -15.099 0.868  -0.404  -4.087 0.693  PRO 9  C    polymer 1 1 67  ? ? ? 
PRD_002467 O11  O11  O 0 1 N N N 18.926 -15.011 1.887  0.327   -3.260 1.202  PRO 9  O    polymer 1 1 68  ? ? ? 
PRD_002467 C50  C50  C 0 1 N N N 19.185 -16.590 -1.119 0.042   -6.402 1.545  PRO 9  CB   polymer 1 1 69  ? ? ? 
PRD_002467 C51  C51  C 0 1 N N N 17.763 -16.828 -0.667 1.280   -7.304 1.404  PRO 9  CG   polymer 1 1 70  ? ? ? 
PRD_002467 C52  C52  C 0 1 N N N 17.922 -17.826 0.466  2.276   -6.498 0.549  PRO 9  CD   polymer 1 1 71  ? ? ? 
PRD_002467 N9   N9   N 0 1 N N N 20.087 -14.012 0.224  -1.727  -3.820 0.460  MLU 10 N    polymer 1 1 72  ? ? ? 
PRD_002467 C53  C53  C 0 1 N N N 21.232 -14.090 -0.668 -2.736  -4.868 0.237  MLU 10 CN   polymer 1 1 73  ? ? ? 
PRD_002467 C54  C54  C 0 1 N N R 19.506 -12.687 0.432  -2.078  -2.379 0.413  MLU 10 CA   polymer 1 1 74  ? ? ? 
PRD_002467 C55  C55  C 0 1 N N N 20.561 -11.666 0.865  -1.974  -1.724 1.760  MLU 10 C    polymer 1 1 75  ? ? ? 
PRD_002467 O12  O12  O 0 1 N N N 20.739 -10.640 0.212  -1.380  -2.240 2.680  MLU 10 O    polymer 1 1 76  ? ? ? 
PRD_002467 C56  C56  C 0 1 N N N 18.809 -12.183 -0.833 -1.211  -1.642 -0.605 MLU 10 CB   polymer 1 1 77  ? ? ? 
PRD_002467 C57  C57  C 0 1 N N N 17.699 -13.081 -1.375 -1.693  -1.972 -2.019 MLU 10 CG   polymer 1 1 78  ? ? ? 
PRD_002467 C58  C58  C 0 1 N N N 17.129 -12.509 -2.664 -0.887  -1.159 -3.035 MLU 10 CD1  polymer 1 1 79  ? ? ? 
PRD_002467 C59  C59  C 0 1 N N N 16.596 -13.274 -0.346 -1.497  -3.465 -2.290 MLU 10 CD2  polymer 1 1 80  ? ? ? 
PRD_002467 N10  N10  N 0 1 N N N 21.265 -11.954 1.969  -2.599  -0.512 1.904  GLY 11 N    polymer 1 1 81  ? ? ? 
PRD_002467 C60  C60  C 0 1 N N N 22.296 -11.047 2.436  -2.504  0.127  3.232  GLY 11 CA   polymer 1 1 82  ? ? ? 
PRD_002467 C61  C61  C 0 1 N N N 21.753 -9.713  2.866  -1.934  1.513  3.064  GLY 11 C    polymer 1 1 83  ? ? ? 
PRD_002467 O13  O13  O 0 1 N N N 20.618 -9.353  2.746  -1.438  2.073  4.012  GLY 11 O    polymer 1 1 84  ? ? ? 
PRD_002467 H1   H1   H 0 1 N N N 29.277 3.293   -0.315 -10.654 -2.194 2.997  2KT 1  H41  polymer 1 1 85  ? ? ? 
PRD_002467 H2   H2   H 0 1 N N N 29.547 1.573   -0.758 -10.640 -3.925 2.583  2KT 1  H42  polymer 1 1 86  ? ? ? 
PRD_002467 H3   H3   H 0 1 N N N 27.874 2.210   -0.607 -9.230  -3.189 3.382  2KT 1  H43  polymer 1 1 87  ? ? ? 
PRD_002467 H4   H4   H 0 1 N N N 29.909 1.959   1.642  -8.808  -3.521 0.961  2KT 1  H31  polymer 1 1 88  ? ? ? 
PRD_002467 H5   H5   H 0 1 N N N 28.236 2.596   1.793  -10.233 -2.526 0.576  2KT 1  H32  polymer 1 1 89  ? ? ? 
PRD_002467 H6   H6   H 0 1 N N N 26.796 -0.504  0.011  -6.891  0.135  2.361  MVA 2  HN1  polymer 1 1 90  ? ? ? 
PRD_002467 H7   H7   H 0 1 N N N 26.070 -2.063  0.529  -6.119  1.521  1.554  MVA 2  HN2  polymer 1 1 91  ? ? ? 
PRD_002467 H8   H8   H 0 1 N N N 25.031 -0.612  0.327  -7.881  1.508  1.807  MVA 2  HN3  polymer 1 1 92  ? ? ? 
PRD_002467 H9   H9   H 0 1 N N N 25.670 -0.933  4.029  -6.784  0.172  -1.769 MVA 2  HA   polymer 1 1 93  ? ? ? 
PRD_002467 H10  H10  H 0 1 N N N 23.442 -0.893  1.964  -6.877  2.602  -2.118 MVA 2  HB   polymer 1 1 94  ? ? ? 
PRD_002467 H11  H11  H 0 0 N N N 23.006 1.435   2.671  -9.242  2.984  -1.479 MVA 2  HG11 polymer 1 1 95  ? ? ? 
PRD_002467 H12  H12  H 0 0 N N N 24.503 1.406   3.663  -9.009  1.335  -2.109 MVA 2  HG12 polymer 1 1 96  ? ? ? 
PRD_002467 H13  H13  H 0 0 N N N 24.606 1.256   1.876  -9.161  1.605  -0.356 MVA 2  HG13 polymer 1 1 97  ? ? ? 
PRD_002467 H14  H14  H 0 0 N N N 22.020 -0.409  3.929  -5.857  3.296  0.019  MVA 2  HG21 polymer 1 1 98  ? ? ? 
PRD_002467 H15  H15  H 0 0 N N N 22.876 -1.981  4.080  -7.428  4.103  -0.208 MVA 2  HG22 polymer 1 1 99  ? ? ? 
PRD_002467 H16  H16  H 0 0 N N N 23.459 -0.550  4.994  -7.290  2.719  0.903  MVA 2  HG23 polymer 1 1 100 ? ? ? 
PRD_002467 H17  H17  H 0 1 N N N 25.964 -5.238  2.256  -2.445  0.321  -1.363 V3C 3  HA   polymer 1 1 101 ? ? ? 
PRD_002467 H18  H18  H 0 1 N N N 27.454 -6.235  4.370  -1.535  2.169  -3.234 V3C 3  HB2  polymer 1 1 102 ? ? ? 
PRD_002467 H19  H19  H 0 1 N N N 28.190 -5.507  2.902  -2.090  0.518  -3.664 V3C 3  HB3  polymer 1 1 103 ? ? ? 
PRD_002467 H20  H20  H 0 1 N N N 27.528 -4.169  5.576  -3.685  3.142  -3.725 V3C 3  HG2  polymer 1 1 104 ? ? ? 
PRD_002467 H21  H21  H 0 1 N N N 28.192 -2.670  2.995  -5.689  1.889  -3.243 V3C 3  HD3  polymer 1 1 105 ? ? ? 
PRD_002467 H22  H22  H 0 1 N N N 27.384 -2.062  4.479  -4.908  0.329  -3.641 V3C 3  HD2  polymer 1 1 106 ? ? ? 
PRD_002467 H23  H23  H 0 0 N N N 29.793 -5.080  5.407  -2.671  2.117  -5.839 V3C 3  H162 polymer 1 1 107 ? ? ? 
PRD_002467 H24  H24  H 0 0 N N N 30.058 -4.181  3.874  -3.697  0.689  -5.557 V3C 3  H161 polymer 1 1 108 ? ? ? 
PRD_002467 H25  H25  H 0 0 N N N 31.153 -3.065  5.771  -4.775  2.260  -7.144 V3C 3  H170 polymer 1 1 109 ? ? ? 
PRD_002467 H26  H26  H 0 0 N N N 29.840 -2.046  5.089  -5.717  2.124  -5.641 V3C 3  H171 polymer 1 1 110 ? ? ? 
PRD_002467 H27  H27  H 0 0 N N N 29.576 -2.945  6.622  -4.692  3.552  -5.923 V3C 3  H169 polymer 1 1 111 ? ? ? 
PRD_002467 H28  H28  H 0 1 N N N 23.094 -6.314  5.433  -1.000  4.552  -0.055 NZC 4  HA   polymer 1 1 112 ? ? ? 
PRD_002467 H29  H29  H 0 1 N N N 21.438 -7.668  4.469  -0.695  3.612  2.549  NZC 4  HB   polymer 1 1 113 ? ? ? 
PRD_002467 H30  H30  H 0 1 N N N 21.963 -5.727  3.028  -3.043  4.378  2.824  NZC 4  HG2  polymer 1 1 114 ? ? ? 
PRD_002467 H31  H31  H 0 0 N N N 23.157 -6.722  2.128  -2.126  5.485  1.774  NZC 4  HG2A polymer 1 1 115 ? ? ? 
PRD_002467 H32  H32  H 0 0 N N N 21.410 -7.137  2.062  -3.266  4.319  1.059  NZC 4  HG2B polymer 1 1 116 ? ? ? 
PRD_002467 H33  H33  H 0 1 N N N 26.219 -7.116  2.783  0.368   1.861  -1.793 NZC 4  H40  polymer 1 1 117 ? ? ? 
PRD_002467 H34  H34  H 0 0 N N N 25.760 -8.432  3.915  0.557   1.324  -0.107 NZC 4  H40A polymer 1 1 118 ? ? ? 
PRD_002467 H35  H35  H 0 0 N N N 24.697 -8.034  2.522  -0.672  0.567  -1.150 NZC 4  H40B polymer 1 1 119 ? ? ? 
PRD_002467 H36  H36  H 0 1 N N N 22.279 -7.838  7.011  1.079   5.344  -0.321 LEU 5  H    polymer 1 1 120 ? ? ? 
PRD_002467 H37  H37  H 0 1 N N N 23.810 -9.903  8.113  3.410   5.494  -0.078 LEU 5  HA   polymer 1 1 121 ? ? ? 
PRD_002467 H38  H38  H 0 1 N N N 20.867 -9.365  7.858  2.844   3.641  2.272  LEU 5  HB2  polymer 1 1 122 ? ? ? 
PRD_002467 H39  H39  H 0 1 N N N 21.392 -11.004 8.374  4.391   4.461  1.954  LEU 5  HB3  polymer 1 1 123 ? ? ? 
PRD_002467 H40  H40  H 0 1 N N N 22.398 -10.190 10.337 1.715   5.881  2.315  LEU 5  HG   polymer 1 1 124 ? ? ? 
PRD_002467 H41  H41  H 0 0 N N N 22.673 -7.794  10.870 2.723   6.614  4.496  LEU 5  HD11 polymer 1 1 125 ? ? ? 
PRD_002467 H42  H42  H 0 0 N N N 23.587 -8.264  9.396  2.424   4.861  4.424  LEU 5  HD12 polymer 1 1 126 ? ? ? 
PRD_002467 H43  H43  H 0 0 N N N 22.039 -7.365  9.246  4.075   5.491  4.210  LEU 5  HD13 polymer 1 1 127 ? ? ? 
PRD_002467 H44  H44  H 0 0 N N N 20.597 -8.925  11.469 3.351   7.078  0.886  LEU 5  HD21 polymer 1 1 128 ? ? ? 
PRD_002467 H45  H45  H 0 0 N N N 19.858 -8.562  9.873  3.143   7.904  2.449  LEU 5  HD22 polymer 1 1 129 ? ? ? 
PRD_002467 H46  H46  H 0 0 N N N 19.951 -10.259 10.455 4.587   6.905  2.156  LEU 5  HD23 polymer 1 1 130 ? ? ? 
PRD_002467 H47  H47  H 0 1 N N N 23.963 -12.550 4.537  5.307   2.205  -2.423 MP8 6  HA   polymer 1 1 131 ? ? ? 
PRD_002467 H48  H48  H 0 1 N N N 25.443 -14.589 5.513  7.518   1.821  -0.524 MP8 6  HB   polymer 1 1 132 ? ? ? 
PRD_002467 H49  H49  H 0 1 N N N 26.158 -12.945 5.411  7.569   2.435  -2.201 MP8 6  HBA  polymer 1 1 133 ? ? ? 
PRD_002467 H50  H50  H 0 1 N N N 25.591 -11.312 7.661  5.633   5.206  -1.457 MP8 6  HD   polymer 1 1 134 ? ? ? 
PRD_002467 H51  H51  H 0 1 N N N 24.285 -12.062 8.639  5.645   5.031  0.322  MP8 6  HDA  polymer 1 1 135 ? ? ? 
PRD_002467 H52  H52  H 0 1 N N N 26.684 -13.612 9.121  7.590   4.838  -2.629 MP8 6  HE   polymer 1 1 136 ? ? ? 
PRD_002467 H53  H53  H 0 1 N N N 27.142 -14.686 7.756  8.163   5.816  -1.257 MP8 6  HEA  polymer 1 1 137 ? ? ? 
PRD_002467 H54  H54  H 0 1 N N N 27.465 -12.922 7.659  9.061   4.361  -1.749 MP8 6  HEB  polymer 1 1 138 ? ? ? 
PRD_002467 H55  H55  H 0 1 N N N 24.711 -14.228 7.801  7.671   3.942  0.299  MP8 6  HG   polymer 1 1 139 ? ? ? 
PRD_002467 H56  H56  H 0 1 N N N 21.427 -12.684 5.261  5.383   -0.187 -2.358 HLX 7  H    polymer 1 1 140 ? ? ? 
PRD_002467 H57  H57  H 0 1 N N N 20.504 -15.305 5.972  5.770   -2.247 -1.311 HLX 7  HA   polymer 1 1 141 ? ? ? 
PRD_002467 H58  H58  H 0 1 N N N 19.361 -13.198 4.101  6.393   -0.442 1.064  HLX 7  H5   polymer 1 1 142 ? ? ? 
PRD_002467 H59  H59  H 0 1 N N N 18.553 -14.762 4.459  6.634   -2.206 1.046  HLX 7  H6   polymer 1 1 143 ? ? ? 
PRD_002467 H60  H60  H 0 1 N N N 17.533 -13.153 5.833  8.155   -1.978 -0.899 HLX 7  H7   polymer 1 1 144 ? ? ? 
PRD_002467 H61  H61  H 0 1 N N N 18.617 -14.119 6.891  7.914   -0.214 -0.881 HLX 7  H8   polymer 1 1 145 ? ? ? 
PRD_002467 H62  H62  H 0 1 N N N 20.228 -12.321 6.956  8.799   -0.167 1.470  HLX 7  H9   polymer 1 1 146 ? ? ? 
PRD_002467 H63  H63  H 0 1 N N N 18.902 -10.624 8.172  9.434   -3.093 0.877  HLX 7  H10  polymer 1 1 147 ? ? ? 
PRD_002467 H64  H64  H 0 1 N N N 17.393 -11.336 7.506  9.968   -2.185 2.312  HLX 7  H11  polymer 1 1 148 ? ? ? 
PRD_002467 H65  H65  H 0 1 N N N 18.428 -12.299 8.614  8.237   -2.509 2.057  HLX 7  H12  polymer 1 1 149 ? ? ? 
PRD_002467 H66  H66  H 0 1 N N N 19.763 -10.113 5.949  10.285  0.273  -0.466 HLX 7  H13  polymer 1 1 150 ? ? ? 
PRD_002467 H67  H67  H 0 1 N N N 19.932 -11.399 4.707  11.165  -0.560 0.838  HLX 7  H14  polymer 1 1 151 ? ? ? 
PRD_002467 H68  H68  H 0 1 N N N 18.302 -10.790 5.153  10.630  -1.468 -0.597 HLX 7  H15  polymer 1 1 152 ? ? ? 
PRD_002467 H69  H69  H 0 1 N N N 19.167 -16.557 5.404  4.339   -2.928 2.363  MVA 8  HN1  polymer 1 1 153 ? ? ? 
PRD_002467 H70  H70  H 0 1 N N N 18.685 -17.763 4.164  3.065   -4.100 1.949  MVA 8  HN2  polymer 1 1 154 ? ? ? 
PRD_002467 H71  H71  H 0 1 N N N 20.076 -18.098 5.250  4.774   -4.500 1.650  MVA 8  HN3  polymer 1 1 155 ? ? ? 
PRD_002467 H72  H72  H 0 1 N N N 21.654 -17.052 2.039  3.610   -3.279 -1.740 MVA 8  HA   polymer 1 1 156 ? ? ? 
PRD_002467 H73  H73  H 0 1 N N N 21.204 -19.413 3.891  4.411   -5.750 -0.152 MVA 8  HB   polymer 1 1 157 ? ? ? 
PRD_002467 H74  H74  H 0 0 N N N 23.363 -18.876 4.963  4.008   -5.304 -3.144 MVA 8  HG11 polymer 1 1 158 ? ? ? 
PRD_002467 H75  H75  H 0 0 N N N 23.422 -17.330 4.052  4.641   -6.788 -2.392 MVA 8  HG12 polymer 1 1 159 ? ? ? 
PRD_002467 H76  H76  H 0 0 N N N 22.123 -17.611 5.260  2.961   -6.284 -2.090 MVA 8  HG13 polymer 1 1 160 ? ? ? 
PRD_002467 H77  H77  H 0 0 N N N 23.340 -20.197 2.926  6.198   -4.050 -0.407 MVA 8  HG21 polymer 1 1 161 ? ? ? 
PRD_002467 H78  H78  H 0 0 N N N 22.077 -19.946 1.674  6.532   -5.483 -1.409 MVA 8  HG22 polymer 1 1 162 ? ? ? 
PRD_002467 H79  H79  H 0 0 N N N 23.391 -18.738 1.879  5.899   -3.999 -2.161 MVA 8  HG23 polymer 1 1 163 ? ? ? 
PRD_002467 H80  H80  H 0 1 N N N 20.988 -16.595 0.104  -0.376  -5.869 -0.501 PRO 9  HA   polymer 1 1 164 ? ? ? 
PRD_002467 H81  H81  H 0 1 N N N 19.269 -15.671 -1.718 0.075   -5.851 2.484  PRO 9  HB2  polymer 1 1 165 ? ? ? 
PRD_002467 H82  H82  H 0 1 N N N 19.572 -17.442 -1.697 -0.868  -6.996 1.478  PRO 9  HB3  polymer 1 1 166 ? ? ? 
PRD_002467 H83  H83  H 0 1 N N N 17.301 -15.896 -0.310 1.709   -7.513 2.382  PRO 9  HG2  polymer 1 1 167 ? ? ? 
PRD_002467 H84  H84  H 0 1 N N N 17.155 -17.249 -1.481 1.015   -8.229 0.893  PRO 9  HG3  polymer 1 1 168 ? ? ? 
PRD_002467 H85  H85  H 0 1 N N N 17.820 -18.858 0.100  2.628   -7.128 -0.272 PRO 9  HD2  polymer 1 1 169 ? ? ? 
PRD_002467 H86  H86  H 0 1 N N N 17.183 -17.643 1.260  3.115   -6.193 1.169  PRO 9  HD3  polymer 1 1 170 ? ? ? 
PRD_002467 H87  H87  H 0 0 N N N 21.572 -15.134 -0.739 -2.261  -5.847 0.289  MLU 10 HCN1 polymer 1 1 171 ? ? ? 
PRD_002467 H88  H88  H 0 0 N N N 20.944 -13.730 -1.667 -3.508  -4.798 1.003  MLU 10 HCN2 polymer 1 1 172 ? ? ? 
PRD_002467 H89  H89  H 0 0 N N N 22.047 -13.465 -0.274 -3.187  -4.735 -0.746 MLU 10 HCN3 polymer 1 1 173 ? ? ? 
PRD_002467 H90  H90  H 0 1 N N N 18.752 -12.753 1.230  -3.128  -2.303 0.084  MLU 10 HA   polymer 1 1 174 ? ? ? 
PRD_002467 H91  H91  H 0 1 N N N 18.370 -11.200 -0.609 -1.287  -0.568 -0.437 MLU 10 HB2  polymer 1 1 175 ? ? ? 
PRD_002467 H92  H92  H 0 1 N N N 19.571 -12.074 -1.619 -0.173  -1.955 -0.493 MLU 10 HB3  polymer 1 1 176 ? ? ? 
PRD_002467 H93  H93  H 0 1 N N N 18.135 -14.066 -1.600 -2.750  -1.722 -2.111 MLU 10 HG   polymer 1 1 177 ? ? ? 
PRD_002467 H94  H94  H 0 0 N N N 16.332 -13.169 -3.038 0.147   -1.505 -3.039 MLU 10 HD11 polymer 1 1 178 ? ? ? 
PRD_002467 H95  H95  H 0 0 N N N 16.715 -11.509 -2.470 -1.317  -1.289 -4.028 MLU 10 HD12 polymer 1 1 179 ? ? ? 
PRD_002467 H96  H96  H 0 0 N N N 17.928 -12.435 -3.417 -0.916  -0.104 -2.761 MLU 10 HD13 polymer 1 1 180 ? ? ? 
PRD_002467 H97  H97  H 0 0 N N N 15.813 -13.924 -0.764 -0.431  -3.694 -2.306 MLU 10 HD21 polymer 1 1 181 ? ? ? 
PRD_002467 H98  H98  H 0 0 N N N 17.015 -13.741 0.558  -1.981  -4.043 -1.503 MLU 10 HD22 polymer 1 1 182 ? ? ? 
PRD_002467 H99  H99  H 0 0 N N N 16.162 -12.297 -0.086 -1.938  -3.721 -3.253 MLU 10 HD23 polymer 1 1 183 ? ? ? 
PRD_002467 H100 H100 H 0 1 N N N 21.079 -12.798 2.473  -3.084  -0.100 1.170  GLY 11 H    polymer 1 1 184 ? ? ? 
PRD_002467 H101 H101 H 0 1 N N N 22.808 -11.510 3.292  -3.498  0.198  3.676  GLY 11 HA2  polymer 1 1 185 ? ? ? 
PRD_002467 H102 H102 H 0 1 N N N 23.017 -10.886 1.621  -1.854  -0.458 3.881  GLY 11 HA3  polymer 1 1 186 ? ? ? 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
PRD_002467 C1  C2   SING N N 1   
PRD_002467 C1  H1   SING N N 2   
PRD_002467 C1  H2   SING N N 3   
PRD_002467 C1  H3   SING N N 4   
PRD_002467 C2  C3   SING N N 5   
PRD_002467 C2  H4   SING N N 6   
PRD_002467 C2  H5   SING N N 7   
PRD_002467 C3  O1   DOUB N N 8   
PRD_002467 C3  C4   SING N N 9   
PRD_002467 C4  O2   DOUB N N 10  
PRD_002467 N1  C5   SING N N 11  
PRD_002467 N1  C6   SING N N 12  
PRD_002467 C5  H6   SING N N 13  
PRD_002467 C5  H7   SING N N 14  
PRD_002467 C5  H8   SING N N 15  
PRD_002467 C6  C7   SING N N 16  
PRD_002467 C6  C10  SING N N 17  
PRD_002467 C6  H9   SING N N 18  
PRD_002467 C7  C8   SING N N 19  
PRD_002467 C7  C9   SING N N 20  
PRD_002467 C7  H10  SING N N 21  
PRD_002467 C8  H11  SING N N 22  
PRD_002467 C8  H12  SING N N 23  
PRD_002467 C8  H13  SING N N 24  
PRD_002467 C9  H14  SING N N 25  
PRD_002467 C9  H15  SING N N 26  
PRD_002467 C9  H16  SING N N 27  
PRD_002467 C10 O3   DOUB N N 28  
PRD_002467 C12 N2   SING N N 29  
PRD_002467 C12 C13  SING N N 30  
PRD_002467 C12 C11  SING N N 31  
PRD_002467 N2  C15  SING N N 32  
PRD_002467 C13 C14  SING N N 33  
PRD_002467 C15 C14  SING N N 34  
PRD_002467 C11 O4   DOUB N N 35  
PRD_002467 C14 C16  SING N N 36  
PRD_002467 C16 C17  SING N N 37  
PRD_002467 C12 H17  SING N N 38  
PRD_002467 C13 H18  SING N N 39  
PRD_002467 C13 H19  SING N N 40  
PRD_002467 C14 H20  SING N N 41  
PRD_002467 C15 H21  SING N N 42  
PRD_002467 C15 H22  SING N N 43  
PRD_002467 C16 H23  SING N N 44  
PRD_002467 C16 H24  SING N N 45  
PRD_002467 C17 H25  SING N N 46  
PRD_002467 C17 H26  SING N N 47  
PRD_002467 C17 H27  SING N N 48  
PRD_002467 C22 N3   SING N N 49  
PRD_002467 N3  C19  SING N N 50  
PRD_002467 O5  C18  DOUB N N 51  
PRD_002467 O6  C20  SING N N 52  
PRD_002467 C19 C18  SING N N 53  
PRD_002467 C20 C19  SING N N 54  
PRD_002467 C19 H28  SING N N 55  
PRD_002467 C21 C20  SING N N 56  
PRD_002467 C20 H29  SING N N 57  
PRD_002467 C21 H30  SING N N 58  
PRD_002467 C21 H31  SING N N 59  
PRD_002467 C21 H32  SING N N 60  
PRD_002467 C22 H33  SING N N 61  
PRD_002467 C22 H34  SING N N 62  
PRD_002467 C22 H35  SING N N 63  
PRD_002467 N4  C23  SING N N 64  
PRD_002467 N4  H36  SING N N 65  
PRD_002467 C23 C24  SING N N 66  
PRD_002467 C23 C25  SING N N 67  
PRD_002467 C23 H37  SING N N 68  
PRD_002467 C24 O7   DOUB N N 69  
PRD_002467 C25 C26  SING N N 70  
PRD_002467 C25 H38  SING N N 71  
PRD_002467 C25 H39  SING N N 72  
PRD_002467 C26 C27  SING N N 73  
PRD_002467 C26 C28  SING N N 74  
PRD_002467 C26 H40  SING N N 75  
PRD_002467 C27 H41  SING N N 76  
PRD_002467 C27 H42  SING N N 77  
PRD_002467 C27 H43  SING N N 78  
PRD_002467 C28 H44  SING N N 79  
PRD_002467 C28 H45  SING N N 80  
PRD_002467 C28 H46  SING N N 81  
PRD_002467 C29 O8   DOUB N N 82  
PRD_002467 C29 C30  SING N N 83  
PRD_002467 N5  C30  SING N N 84  
PRD_002467 N5  C32  SING N N 85  
PRD_002467 C30 C31  SING N N 86  
PRD_002467 C30 H47  SING N N 87  
PRD_002467 C31 C34  SING N N 88  
PRD_002467 C31 H48  SING N N 89  
PRD_002467 C31 H49  SING N N 90  
PRD_002467 C32 C34  SING N N 91  
PRD_002467 C32 H50  SING N N 92  
PRD_002467 C32 H51  SING N N 93  
PRD_002467 C33 C34  SING N N 94  
PRD_002467 C33 H52  SING N N 95  
PRD_002467 C33 H53  SING N N 96  
PRD_002467 C33 H54  SING N N 97  
PRD_002467 C34 H55  SING N N 98  
PRD_002467 C36 O9   DOUB N N 99  
PRD_002467 C36 C35  SING N N 100 
PRD_002467 C35 C37  SING N N 101 
PRD_002467 C35 N6   SING N N 102 
PRD_002467 C37 C38  SING N N 103 
PRD_002467 C38 C39  SING N N 104 
PRD_002467 C39 C41  SING N N 105 
PRD_002467 C39 C40  SING N N 106 
PRD_002467 N6  H56  SING N N 107 
PRD_002467 C35 H57  SING N N 108 
PRD_002467 C37 H58  SING N N 109 
PRD_002467 C37 H59  SING N N 110 
PRD_002467 C38 H60  SING N N 111 
PRD_002467 C38 H61  SING N N 112 
PRD_002467 C39 H62  SING N N 113 
PRD_002467 C40 H63  SING N N 114 
PRD_002467 C40 H64  SING N N 115 
PRD_002467 C40 H65  SING N N 116 
PRD_002467 C41 H66  SING N N 117 
PRD_002467 C41 H67  SING N N 118 
PRD_002467 C41 H68  SING N N 119 
PRD_002467 N7  C42  SING N N 120 
PRD_002467 N7  C43  SING N N 121 
PRD_002467 C42 H69  SING N N 122 
PRD_002467 C42 H70  SING N N 123 
PRD_002467 C42 H71  SING N N 124 
PRD_002467 C43 C44  SING N N 125 
PRD_002467 C43 C47  SING N N 126 
PRD_002467 C43 H72  SING N N 127 
PRD_002467 C44 C45  SING N N 128 
PRD_002467 C44 C46  SING N N 129 
PRD_002467 C44 H73  SING N N 130 
PRD_002467 C45 H74  SING N N 131 
PRD_002467 C45 H75  SING N N 132 
PRD_002467 C45 H76  SING N N 133 
PRD_002467 C46 H77  SING N N 134 
PRD_002467 C46 H78  SING N N 135 
PRD_002467 C46 H79  SING N N 136 
PRD_002467 C47 O10  DOUB N N 137 
PRD_002467 N8  C48  SING N N 138 
PRD_002467 N8  C52  SING N N 139 
PRD_002467 C48 C49  SING N N 140 
PRD_002467 C48 C50  SING N N 141 
PRD_002467 C48 H80  SING N N 142 
PRD_002467 C49 O11  DOUB N N 143 
PRD_002467 C50 C51  SING N N 144 
PRD_002467 C50 H81  SING N N 145 
PRD_002467 C50 H82  SING N N 146 
PRD_002467 C51 C52  SING N N 147 
PRD_002467 C51 H83  SING N N 148 
PRD_002467 C51 H84  SING N N 149 
PRD_002467 C52 H85  SING N N 150 
PRD_002467 C52 H86  SING N N 151 
PRD_002467 N9  C53  SING N N 152 
PRD_002467 N9  C54  SING N N 153 
PRD_002467 C54 C55  SING N N 154 
PRD_002467 C54 C56  SING N N 155 
PRD_002467 C55 O12  DOUB N N 156 
PRD_002467 C56 C57  SING N N 157 
PRD_002467 C57 C58  SING N N 158 
PRD_002467 C57 C59  SING N N 159 
PRD_002467 C53 H87  SING N N 160 
PRD_002467 C53 H88  SING N N 161 
PRD_002467 C53 H89  SING N N 162 
PRD_002467 C54 H90  SING N N 163 
PRD_002467 C56 H91  SING N N 164 
PRD_002467 C56 H92  SING N N 165 
PRD_002467 C57 H93  SING N N 166 
PRD_002467 C58 H94  SING N N 167 
PRD_002467 C58 H95  SING N N 168 
PRD_002467 C58 H96  SING N N 169 
PRD_002467 C59 H97  SING N N 170 
PRD_002467 C59 H98  SING N N 171 
PRD_002467 C59 H99  SING N N 172 
PRD_002467 N10 C60  SING N N 173 
PRD_002467 N10 H100 SING N N 174 
PRD_002467 C60 C61  SING N N 175 
PRD_002467 C60 H101 SING N N 176 
PRD_002467 C60 H102 SING N N 177 
PRD_002467 C61 O13  DOUB N N 178 
PRD_002467 C4  N1   SING N N 179 
PRD_002467 C10 N2   SING N N 180 
PRD_002467 C11 N3   SING N N 181 
PRD_002467 C18 N4   SING N N 182 
PRD_002467 O6  C61  SING N N 183 
PRD_002467 C24 N5   SING N N 184 
PRD_002467 C29 N6   SING N N 185 
PRD_002467 C36 N7   SING N N 186 
PRD_002467 C47 N8   SING N N 187 
PRD_002467 C49 N9   SING N N 188 
PRD_002467 C55 N10  SING N N 189 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
PRD_002467 InChI            InChI                1.06  "InChI=1S/C61H102N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-46,49-51H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)/t38-,39-,40-,41+,42+,43+,44-,45+,46+,49+,50+,51+/m1/s1" 
PRD_002467 InChIKey         InChI                1.06  ICFLLAYTOVAMGO-TWDQECAASA-N                                                                                                                                                                                                                                                                                                                                                                              
PRD_002467 SMILES_CANONICAL CACTVS               3.385 "CC[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)[C@H]2[C@@H](C)OC(=O)CNC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCC(C)C)NC(=O)[C@@H]4C[C@@H](C)CN4C(=O)[C@H](CC(C)C)NC2=O"                                                                                                                                                                               
PRD_002467 SMILES           CACTVS               3.385 "CC[CH]1C[CH](N(C1)C(=O)[CH](C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)[CH]2[CH](C)OC(=O)CNC(=O)[CH](CC(C)C)N(C)C(=O)[CH]3CCCN3C(=O)[CH](C(C)C)N(C)C(=O)[CH](CCC(C)C)NC(=O)[CH]4C[CH](C)CN4C(=O)[CH](CC(C)C)NC2=O"                                                                                                                                                                                                 
PRD_002467 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)[C@H]2[C@H](OC(=O)CNC(=O)[C@H](N(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C"                                                                                                                                                                               
PRD_002467 SMILES           "OpenEye OEToolkits" 2.0.7 "CCC1CC(N(C1)C(=O)C(C(C)C)N(C)C(=O)C(=O)CC)C(=O)N(C)C2C(OC(=O)CNC(=O)C(N(C(=O)C3CCCN3C(=O)C(N(C(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C"                                                                                                                                                                                                                                     
# 
_pdbx_chem_comp_identifier.comp_id           PRD_002467 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "(2~{S},4~{R})-4-ethyl-~{N}-methyl-1-[(2~{S})-3-methyl-2-[methyl(2-oxidanylidenebutanoyl)amino]butanoyl]-~{N}-[(3~{S},6~{S},9~{S},11~{R},15~{S},18~{S},19~{R},25~{R},28~{S})-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octakis(oxidanylidene)-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.0^{9,13}]hentriacontan-18-yl]pyrrolidine-2-carboxamide" 
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