data_PRDCC_001061
# 
_chem_comp.id                                    PRD_001061 
_chem_comp.name                                  "peptide inhibitor, syc 10" 
_chem_comp.formula                               "C30 H42 N4 O6" 
_chem_comp.formula_weight                        554.678 
_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_001061 C1  C1  C 0 1 N N N 35.272 38.457 18.052 4.160  -0.806 -0.042 PHQ 1 C1   polymer 1 1 1  ? ? ? 
PRD_001061 O1  O1  O 0 1 N N N 35.689 39.572 18.283 4.376  -1.743 -0.785 PHQ 1 O1   polymer 1 1 2  ? ? ? 
PRD_001061 O2  O2  O 0 1 N N N 34.107 38.075 18.475 5.187  -0.095 0.461  PHQ 1 O2   polymer 1 1 3  ? ? ? 
PRD_001061 C2  C2  C 0 1 N N N 33.208 39.080 18.282 6.524  -0.506 0.073  PHQ 1 C2   polymer 1 1 4  ? ? ? 
PRD_001061 C3  C3  C 0 1 Y N N 31.853 38.813 18.284 7.536  0.399  0.728  PHQ 1 C3   polymer 1 1 5  ? ? ? 
PRD_001061 C4  C4  C 0 1 Y N N 31.379 37.680 17.721 8.048  0.078  1.972  PHQ 1 C4   polymer 1 1 6  ? ? ? 
PRD_001061 C5  C5  C 0 1 Y N N 30.066 37.383 17.689 8.977  0.907  2.572  PHQ 1 C5   polymer 1 1 7  ? ? ? 
PRD_001061 C6  C6  C 0 1 Y N N 29.173 38.274 18.186 9.394  2.058  1.929  PHQ 1 C6   polymer 1 1 8  ? ? ? 
PRD_001061 C7  C7  C 0 1 Y N N 29.635 39.412 18.761 8.882  2.378  0.686  PHQ 1 C7   polymer 1 1 9  ? ? ? 
PRD_001061 C8  C8  C 0 1 Y N N 30.952 39.703 18.803 7.957  1.547  0.083  PHQ 1 C8   polymer 1 1 10 ? ? ? 
PRD_001061 N1  N1  N 0 1 N N N 35.942 37.569 17.413 2.892  -0.475 0.273  LEU 2 N    polymer 1 1 11 ? ? ? 
PRD_001061 C9  C9  C 0 1 N N S 37.239 37.864 16.908 1.774  -1.244 -0.279 LEU 2 CA   polymer 1 1 12 ? ? ? 
PRD_001061 C10 C10 C 0 1 N N N 37.177 37.595 15.410 0.539  -0.382 -0.312 LEU 2 C    polymer 1 1 13 ? ? ? 
PRD_001061 O3  O3  O 0 1 N N N 36.570 36.627 14.975 0.587  0.763  0.086  LEU 2 O    polymer 1 1 14 ? ? ? 
PRD_001061 C11 C11 C 0 1 N N N 38.268 36.935 17.498 1.517  -2.470 0.599  LEU 2 CB   polymer 1 1 15 ? ? ? 
PRD_001061 C12 C12 C 0 1 N N N 38.296 36.935 19.016 2.725  -3.407 0.534  LEU 2 CG   polymer 1 1 16 ? ? ? 
PRD_001061 C13 C13 C 0 1 N N N 38.938 35.654 19.452 2.521  -4.571 1.506  LEU 2 CD1  polymer 1 1 17 ? ? ? 
PRD_001061 C14 C14 C 0 1 N N N 39.103 38.110 19.443 2.872  -3.951 -0.889 LEU 2 CD2  polymer 1 1 18 ? ? ? 
PRD_001061 N2  N2  N 0 1 N N N 37.811 38.502 14.695 -0.620 -0.883 -0.785 PHE 3 N    polymer 1 1 19 ? ? ? 
PRD_001061 C15 C15 C 0 1 N N S 37.876 38.413 13.230 -1.821 -0.045 -0.817 PHE 3 CA   polymer 1 1 20 ? ? ? 
PRD_001061 C16 C16 C 0 1 N N N 38.557 37.099 12.883 -3.046 -0.921 -0.781 PHE 3 C    polymer 1 1 21 ? ? ? 
PRD_001061 O4  O4  O 0 1 N N N 39.538 36.736 13.489 -2.928 -2.127 -0.732 PHE 3 O    polymer 1 1 22 ? ? ? 
PRD_001061 C17 C17 C 0 1 N N N 38.646 39.593 12.621 -1.827 0.788  -2.101 PHE 3 CB   polymer 1 1 23 ? ? ? 
PRD_001061 C18 C18 C 0 1 Y N N 37.789 40.893 12.581 -0.669 1.751  -2.081 PHE 3 CG   polymer 1 1 24 ? ? ? 
PRD_001061 C19 C19 C 0 1 Y N N 38.124 42.032 13.320 0.553  1.375  -2.606 PHE 3 CD1  polymer 1 1 25 ? ? ? 
PRD_001061 C20 C20 C 0 1 Y N N 36.652 40.967 11.819 -0.830 3.014  -1.542 PHE 3 CD2  polymer 1 1 26 ? ? ? 
PRD_001061 C21 C21 C 0 1 Y N N 37.322 43.168 13.287 1.616  2.259  -2.587 PHE 3 CE1  polymer 1 1 27 ? ? ? 
PRD_001061 C22 C22 C 0 1 Y N N 35.874 42.097 11.773 0.232  3.898  -1.524 PHE 3 CE2  polymer 1 1 28 ? ? ? 
PRD_001061 C23 C23 C 0 1 Y N N 36.207 43.227 12.513 1.456  3.520  -2.044 PHE 3 CZ   polymer 1 1 29 ? ? ? 
PRD_001061 C24 C24 C 0 1 N N N 39.116 35.208 10.055 -5.808 -1.674 -2.186 1HB 4 C    polymer 1 1 30 ? ? ? 
PRD_001061 C25 C25 C 0 1 N N N 37.036 32.478 13.815 -7.506 0.701  1.844  1HB 4 CD   polymer 1 1 31 ? ? ? 
PRD_001061 C26 C26 C 0 1 N N N 37.544 33.850 13.352 -6.349 -0.077 1.273  1HB 4 CG   polymer 1 1 32 ? ? ? 
PRD_001061 N3  N3  N 0 1 N N N 38.026 36.439 11.876 -4.274 -0.365 -0.802 1HB 4 N    polymer 1 1 33 ? ? ? 
PRD_001061 O5  O5  O 0 1 N N N 36.372 31.793 13.087 -8.469 0.951  1.151  1HB 4 OE1  polymer 1 1 34 ? ? ? 
PRD_001061 N4  N4  N 0 1 N N N 37.330 32.110 15.051 -7.471 1.119  3.125  1HB 4 NE2  polymer 1 1 35 ? ? ? 
PRD_001061 C27 C27 C 0 1 N N N 38.060 32.991 15.955 -8.597 1.875  3.680  1HB 4 CH1  polymer 1 1 36 ? ? ? 
PRD_001061 C28 C28 C 0 1 N N N 36.858 30.829 15.477 -6.308 0.816  3.962  1HB 4 CH2  polymer 1 1 37 ? ? ? 
PRD_001061 C29 C29 C 0 1 N N S 38.588 35.167 11.513 -5.465 -1.217 -0.767 1HB 4 CA   polymer 1 1 38 ? ? ? 
PRD_001061 C30 C30 C 0 1 N N N 37.557 34.079 11.867 -6.640 -0.427 -0.187 1HB 4 CB   polymer 1 1 39 ? ? ? 
PRD_001061 O6  O6  O 0 1 N N N 39.913 36.015 9.604  -6.177 -0.541 -2.975 1HB 4 O    polymer 1 1 40 ? ? ? 
PRD_001061 H1  H1  H 0 1 N N N 33.386 39.820 19.077 6.696  -1.534 0.392  PHQ 1 H21  polymer 1 1 41 ? ? ? 
PRD_001061 H2  H2  H 0 1 N N N 33.440 39.529 17.305 6.625  -0.439 -1.010 PHQ 1 H22  polymer 1 1 42 ? ? ? 
PRD_001061 H3  H3  H 0 1 N N N 32.080 36.986 17.280 7.722  -0.821 2.474  PHQ 1 H41  polymer 1 1 43 ? ? ? 
PRD_001061 H4  H4  H 0 1 N N N 29.728 36.446 17.272 9.376  0.657  3.544  PHQ 1 H51  polymer 1 1 44 ? ? ? 
PRD_001061 H5  H5  H 0 1 N N N 28.112 38.081 18.125 10.118 2.706  2.399  PHQ 1 H61  polymer 1 1 45 ? ? ? 
PRD_001061 H6  H6  H 0 1 N N N 28.930 40.104 19.197 9.208  3.278  0.184  PHQ 1 H71  polymer 1 1 46 ? ? ? 
PRD_001061 H7  H7  H 0 1 N N N 31.292 40.629 19.242 7.561  1.795  -0.890 PHQ 1 H81  polymer 1 1 47 ? ? ? 
PRD_001061 H8  H8  H 0 1 N N N 35.549 36.661 17.268 2.720  0.274  0.866  LEU 2 H    polymer 1 1 48 ? ? ? 
PRD_001061 H9  H9  H 0 1 N N N 37.518 38.912 17.094 2.020  -1.567 -1.290 LEU 2 HA   polymer 1 1 49 ? ? ? 
PRD_001061 H10 H10 H 0 1 N N N 38.049 35.913 17.155 1.359  -2.153 1.630  LEU 2 HB2  polymer 1 1 50 ? ? ? 
PRD_001061 H11 H11 H 0 1 N N N 39.260 37.240 17.133 0.631  -2.994 0.240  LEU 2 HB3  polymer 1 1 51 ? ? ? 
PRD_001061 H12 H12 H 0 1 N N N 37.273 37.005 19.413 3.625  -2.858 0.808  LEU 2 HG   polymer 1 1 52 ? ? ? 
PRD_001061 H13 H13 H 0 0 N N N 38.976 35.618 20.551 1.620  -5.120 1.232  LEU 2 HD11 polymer 1 1 53 ? ? ? 
PRD_001061 H14 H14 H 0 0 N N N 38.350 34.803 19.077 3.382  -5.238 1.460  LEU 2 HD12 polymer 1 1 54 ? ? ? 
PRD_001061 H15 H15 H 0 0 N N N 39.960 35.600 19.048 2.416  -4.183 2.520  LEU 2 HD13 polymer 1 1 55 ? ? ? 
PRD_001061 H16 H16 H 0 0 N N N 39.147 38.145 20.542 1.971  -4.501 -1.163 LEU 2 HD21 polymer 1 1 56 ? ? ? 
PRD_001061 H17 H17 H 0 0 N N N 40.122 38.022 19.038 3.017  -3.122 -1.581 LEU 2 HD22 polymer 1 1 57 ? ? ? 
PRD_001061 H18 H18 H 0 0 N N N 38.637 39.032 19.065 3.732  -4.619 -0.935 LEU 2 HD23 polymer 1 1 58 ? ? ? 
PRD_001061 H19 H19 H 0 1 N N N 38.257 39.267 15.159 -0.658 -1.798 -1.103 PHE 3 H    polymer 1 1 59 ? ? ? 
PRD_001061 H20 H20 H 0 1 N N N 36.857 38.406 12.816 -1.824 0.620  0.047  PHE 3 HA   polymer 1 1 60 ? ? ? 
PRD_001061 H21 H21 H 0 1 N N N 39.546 39.780 13.226 -1.735 0.127  -2.963 PHE 3 HB2  polymer 1 1 61 ? ? ? 
PRD_001061 H22 H22 H 0 1 N N N 38.942 39.331 11.594 -2.762 1.344  -2.169 PHE 3 HB3  polymer 1 1 62 ? ? ? 
PRD_001061 H23 H23 H 0 1 N N N 39.019 42.030 13.925 0.678  0.389  -3.030 PHE 3 HD1  polymer 1 1 63 ? ? ? 
PRD_001061 H24 H24 H 0 1 N N N 36.358 40.107 11.235 -1.786 3.310  -1.137 PHE 3 HD2  polymer 1 1 64 ? ? ? 
PRD_001061 H25 H25 H 0 1 N N N 37.592 44.022 13.890 2.571  1.964  -2.996 PHE 3 HE1  polymer 1 1 65 ? ? ? 
PRD_001061 H26 H26 H 0 1 N N N 34.990 42.109 11.153 0.106  4.885  -1.103 PHE 3 HE2  polymer 1 1 66 ? ? ? 
PRD_001061 H27 H27 H 0 1 N N N 35.600 44.120 12.474 2.286  4.210  -2.029 PHE 3 HZ   polymer 1 1 67 ? ? ? 
PRD_001061 H28 H28 H 0 1 N N N 36.900 34.618 13.806 -5.443 0.526  1.329  1HB 4 H1   polymer 1 1 68 ? ? ? 
PRD_001061 H29 H29 H 0 1 N N N 38.574 33.970 13.720 -6.210 -0.994 1.846  1HB 4 H3   polymer 1 1 69 ? ? ? 
PRD_001061 H30 H30 H 0 1 N N N 37.247 36.815 11.374 -4.368 0.600  -0.841 1HB 4 H2   polymer 1 1 70 ? ? ? 
PRD_001061 H31 H31 H 0 1 N N N 38.328 33.918 15.427 -9.319 1.185  4.116  1HB 4 H6   polymer 1 1 71 ? ? ? 
PRD_001061 H32 H32 H 0 1 N N N 37.428 33.232 16.822 -8.233 2.555  4.450  1HB 4 H7   polymer 1 1 72 ? ? ? 
PRD_001061 H33 H33 H 0 1 N N N 38.976 32.487 16.298 -9.075 2.449  2.886  1HB 4 H8   polymer 1 1 73 ? ? ? 
PRD_001061 H34 H34 H 0 1 N N N 37.170 30.650 16.516 -5.576 1.619  3.872  1HB 4 H9   polymer 1 1 74 ? ? ? 
PRD_001061 H35 H35 H 0 1 N N N 35.760 30.803 15.414 -6.622 0.727  5.002  1HB 4 H10  polymer 1 1 75 ? ? ? 
PRD_001061 H36 H36 H 0 1 N N N 37.281 30.048 14.828 -5.860 -0.122 3.636  1HB 4 H11  polymer 1 1 76 ? ? ? 
PRD_001061 H37 H37 H 0 1 N N N 39.463 34.991 12.156 -5.270 -2.089 -0.142 1HB 4 HA   polymer 1 1 77 ? ? ? 
PRD_001061 H38 H38 H 0 1 N N N 37.825 33.143 11.356 -7.546 -1.030 -0.243 1HB 4 H13  polymer 1 1 78 ? ? ? 
PRD_001061 H39 H39 H 0 1 N N N 36.558 34.403 11.539 -6.779 0.490  -0.760 1HB 4 H14  polymer 1 1 79 ? ? ? 
PRD_001061 H40 H40 H 0 1 N N N 40.073 35.825 8.687  -6.407 -0.756 -3.889 1HB 4 H15  polymer 1 1 80 ? ? ? 
PRD_001061 H41 H41 H 0 1 N N N 39.576 34.223 9.887  -4.939 -2.159 -2.631 1HB 4 H16  polymer 1 1 81 ? ? ? 
PRD_001061 H42 H42 H 0 1 N N N 38.219 35.306 9.426  -6.639 -2.378 -2.151 1HB 4 H17  polymer 1 1 82 ? ? ? 
# 
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_001061 C1  O1  DOUB N N 1  
PRD_001061 C1  O2  SING N N 2  
PRD_001061 O2  C2  SING N N 3  
PRD_001061 C2  C3  SING N N 4  
PRD_001061 C2  H1  SING N N 5  
PRD_001061 C2  H2  SING N N 6  
PRD_001061 C3  C4  DOUB Y N 7  
PRD_001061 C3  C8  SING Y N 8  
PRD_001061 C4  C5  SING Y N 9  
PRD_001061 C4  H3  SING N N 10 
PRD_001061 C5  C6  DOUB Y N 11 
PRD_001061 C5  H4  SING N N 12 
PRD_001061 C6  C7  SING Y N 13 
PRD_001061 C6  H5  SING N N 14 
PRD_001061 C7  C8  DOUB Y N 15 
PRD_001061 C7  H6  SING N N 16 
PRD_001061 C8  H7  SING N N 17 
PRD_001061 N1  C9  SING N N 18 
PRD_001061 N1  H8  SING N N 19 
PRD_001061 C9  C10 SING N N 20 
PRD_001061 C9  C11 SING N N 21 
PRD_001061 C9  H9  SING N N 22 
PRD_001061 C10 O3  DOUB N N 23 
PRD_001061 C11 C12 SING N N 24 
PRD_001061 C11 H10 SING N N 25 
PRD_001061 C11 H11 SING N N 26 
PRD_001061 C12 C13 SING N N 27 
PRD_001061 C12 C14 SING N N 28 
PRD_001061 C12 H12 SING N N 29 
PRD_001061 C13 H13 SING N N 30 
PRD_001061 C13 H14 SING N N 31 
PRD_001061 C13 H15 SING N N 32 
PRD_001061 C14 H16 SING N N 33 
PRD_001061 C14 H17 SING N N 34 
PRD_001061 C14 H18 SING N N 35 
PRD_001061 N2  C15 SING N N 36 
PRD_001061 N2  H19 SING N N 37 
PRD_001061 C15 C16 SING N N 38 
PRD_001061 C15 C17 SING N N 39 
PRD_001061 C15 H20 SING N N 40 
PRD_001061 C16 O4  DOUB N N 41 
PRD_001061 C17 C18 SING N N 42 
PRD_001061 C17 H21 SING N N 43 
PRD_001061 C17 H22 SING N N 44 
PRD_001061 C18 C19 DOUB Y N 45 
PRD_001061 C18 C20 SING Y N 46 
PRD_001061 C19 C21 SING Y N 47 
PRD_001061 C19 H23 SING N N 48 
PRD_001061 C20 C22 DOUB Y N 49 
PRD_001061 C20 H24 SING N N 50 
PRD_001061 C21 C23 DOUB Y N 51 
PRD_001061 C21 H25 SING N N 52 
PRD_001061 C22 C23 SING Y N 53 
PRD_001061 C22 H26 SING N N 54 
PRD_001061 C23 H27 SING N N 55 
PRD_001061 O5  C25 DOUB N N 56 
PRD_001061 C28 N4  SING N N 57 
PRD_001061 C25 N4  SING N N 58 
PRD_001061 C25 C26 SING N N 59 
PRD_001061 N4  C27 SING N N 60 
PRD_001061 C30 C26 SING N N 61 
PRD_001061 C30 C29 SING N N 62 
PRD_001061 C24 C29 SING N N 63 
PRD_001061 C24 O6  SING N N 64 
PRD_001061 C29 N3  SING N N 65 
PRD_001061 C26 H28 SING N N 66 
PRD_001061 C26 H29 SING N N 67 
PRD_001061 N3  H30 SING N N 68 
PRD_001061 C27 H31 SING N N 69 
PRD_001061 C27 H32 SING N N 70 
PRD_001061 C27 H33 SING N N 71 
PRD_001061 C28 H34 SING N N 72 
PRD_001061 C28 H35 SING N N 73 
PRD_001061 C28 H36 SING N N 74 
PRD_001061 C29 H37 SING N N 75 
PRD_001061 C30 H38 SING N N 76 
PRD_001061 C30 H39 SING N N 77 
PRD_001061 O6  H40 SING N N 78 
PRD_001061 C24 H41 SING N N 79 
PRD_001061 C24 H42 SING N N 80 
PRD_001061 C1  N1  SING N N 81 
PRD_001061 C10 N2  SING N N 82 
PRD_001061 C16 N3  SING N N 83 
# 
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_001061 SMILES           ACDLabs              12.01 "O=C(N(C)C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)Cc2ccccc2)CO"                                                                                                                                     
PRD_001061 InChI            InChI                1.03  "InChI=1S/C30H42N4O6/c1-21(2)17-25(33-30(39)40-20-23-13-9-6-10-14-23)29(38)32-26(18-22-11-7-5-8-12-22)28(37)31-24(19-35)15-16-27(36)34(3)4/h5-14,21,24-26,35H,15-20H2,1-4H3,(H,31,37)(H,32,38)(H,33,39)" 
PRD_001061 InChIKey         InChI                1.03  BBNVUPCWZSSVPF-UHFFFAOYSA-N                                                                                                                                                                              
PRD_001061 SMILES_CANONICAL CACTVS               3.370 "CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CO)CCC(=O)N(C)C"                                                                                                                        
PRD_001061 SMILES           CACTVS               3.370 "CC(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](CO)CCC(=O)N(C)C"                                                                                                                            
PRD_001061 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)CO)NC(=O)OCc2ccccc2"                                                                                                                      
PRD_001061 SMILES           "OpenEye OEToolkits" 1.7.6 "CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)N(C)C)CO)NC(=O)OCc2ccccc2"                                                                                                                                     
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
PRD_001061 "SYSTEMATIC NAME" ACDLabs              12.01 "N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]-L-phenylalaninamide"                                                                                          
PRD_001061 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-5-(dimethylamino)-1-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate" 
# 
