data_PRDCC_000910
# 
_chem_comp.id                                    PRD_000910 
_chem_comp.name                                  "B4Z inhibitor" 
_chem_comp.formula                               "C24 H44 N6 O6" 
_chem_comp.formula_weight                        512.643 
_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_000910 O1  O1  O 0 1 N N N 0.072  -20.513 36.971 6.977  -0.396 1.469  BOC 1 O1   polymer 1 1 1  ? ? ? 
PRD_000910 C1  C1  C 0 1 N N N -1.126 -20.721 37.125 6.909  0.019  0.329  BOC 1 C    polymer 1 1 2  ? ? ? 
PRD_000910 O2  O2  O 0 1 N N N -1.602 -22.070 37.374 8.030  0.178  -0.399 BOC 1 O2   polymer 1 1 3  ? ? ? 
PRD_000910 C2  C2  C 0 1 N N N -0.835 -22.994 38.151 9.286  -0.165 0.243  BOC 1 CT   polymer 1 1 4  ? ? ? 
PRD_000910 C3  C3  C 0 1 N N N -1.780 -24.087 38.639 9.265  -1.641 0.648  BOC 1 C1   polymer 1 1 5  ? ? ? 
PRD_000910 C4  C4  C 0 1 N N N 0.264  -23.591 37.271 10.441 0.079  -0.731 BOC 1 C2   polymer 1 1 6  ? ? ? 
PRD_000910 C5  C5  C 0 1 N N N -0.258 -22.275 39.369 9.477  0.703  1.489  BOC 1 C3   polymer 1 1 7  ? ? ? 
PRD_000910 N1  N1  N 0 1 N N N -2.039 -19.759 37.060 5.709  0.315  -0.210 ALA 2 N    polymer 1 1 8  ? ? ? 
PRD_000910 C6  C6  C 0 1 N N S -1.659 -18.380 36.847 4.488  0.136  0.580  ALA 2 CA   polymer 1 1 9  ? ? ? 
PRD_000910 C7  C7  C 0 1 N N N -0.955 -17.894 38.080 3.317  -0.072 -0.346 ALA 2 C    polymer 1 1 10 ? ? ? 
PRD_000910 O3  O3  O 0 1 N N N -1.325 -18.242 39.195 3.486  -0.071 -1.547 ALA 2 O    polymer 1 1 11 ? ? ? 
PRD_000910 C8  C8  C 0 1 N N N -2.913 -17.546 36.600 4.246  1.381  1.436  ALA 2 CB   polymer 1 1 12 ? ? ? 
PRD_000910 N2  N2  N 0 1 N N N 0.070  -17.079 37.883 2.082  -0.259 0.161  VAL 3 N    polymer 1 1 13 ? ? ? 
PRD_000910 C9  C9  C 0 1 N N S 0.840  -16.531 38.983 0.944  -0.461 -0.740 VAL 3 CA   polymer 1 1 14 ? ? ? 
PRD_000910 C10 C10 C 0 1 N N N 0.612  -15.048 39.102 -0.326 -0.042 -0.045 VAL 3 C    polymer 1 1 15 ? ? ? 
PRD_000910 O4  O4  O 0 1 N N N 0.753  -14.326 38.125 -0.361 0.028  1.165  VAL 3 O    polymer 1 1 16 ? ? ? 
PRD_000910 C11 C11 C 0 1 N N N 2.272  -16.827 38.536 0.852  -1.940 -1.122 VAL 3 CB   polymer 1 1 17 ? ? ? 
PRD_000910 C12 C12 C 0 1 N N N 3.320  -15.999 39.277 -0.276 -2.136 -2.136 VAL 3 CG1  polymer 1 1 18 ? ? ? 
PRD_000910 C13 C13 C 0 1 N N N 2.554  -18.323 38.657 2.177  -2.391 -1.740 VAL 3 CG2  polymer 1 1 19 ? ? ? 
PRD_000910 N3  N3  N 0 1 N N N 0.245  -14.583 40.295 -1.423 0.255  -0.769 LEU 4 N    polymer 1 1 20 ? ? ? 
PRD_000910 C14 C14 C 0 1 N N S 0.016  -13.166 40.522 -2.622 0.770  -0.104 LEU 4 CA   polymer 1 1 21 ? ? ? 
PRD_000910 C15 C15 C 0 1 N N N 1.354  -12.492 40.406 -3.843 0.388  -0.901 LEU 4 C    polymer 1 1 22 ? ? ? 
PRD_000910 O5  O5  O 0 1 N N N 2.218  -12.672 41.255 -3.734 0.091  -2.072 LEU 4 O    polymer 1 1 23 ? ? ? 
PRD_000910 C16 C16 C 0 1 N N N -0.505 -13.040 41.955 -2.535 2.295  -0.004 LEU 4 CB   polymer 1 1 24 ? ? ? 
PRD_000910 C17 C17 C 0 1 N N N -1.892 -13.658 42.160 -3.745 2.825  0.768  LEU 4 CG   polymer 1 1 25 ? ? ? 
PRD_000910 C18 C18 C 0 1 N N N -2.469 -13.326 43.537 -3.670 2.351  2.221  LEU 4 CD1  polymer 1 1 26 ? ? ? 
PRD_000910 C19 C19 C 0 1 N N N -2.856 -13.260 41.046 -3.744 4.354  0.730  LEU 4 CD2  polymer 1 1 27 ? ? ? 
PRD_000910 C20 C20 C 0 1 N N N 2.905  -9.592  39.426 -6.790 1.061  -1.866 0JU 5 C    polymer 1 1 28 ? ? ? 
PRD_000910 N4  N4  N 0 1 N N N 3.924  -9.171  40.034 -6.233 2.212  -1.816 0JU 5 NF   polymer 1 1 29 ? ? ? 
PRD_000910 C21 C21 C 0 1 N N S 2.856  -11.065 39.149 -6.228 -0.083 -1.062 0JU 5 CA   polymer 1 1 30 ? ? ? 
PRD_000910 N5  N5  N 0 1 N N N 1.562  -11.722 39.343 -5.055 0.376  -0.313 0JU 5 N    polymer 1 1 31 ? ? ? 
PRD_000910 C22 C22 C 0 1 N N N 3.177  -11.295 37.677 -7.291 -0.590 -0.085 0JU 5 CB   polymer 1 1 32 ? ? ? 
PRD_000910 C23 C23 C 0 1 N N N 4.666  -11.487 37.445 -6.765 -1.829 0.642  0JU 5 CG   polymer 1 1 33 ? ? ? 
PRD_000910 C24 C24 C 0 1 N N N 4.838  -11.861 35.993 -7.812 -2.328 1.605  0JU 5 CD   polymer 1 1 34 ? ? ? 
PRD_000910 O6  O6  O 0 1 N N N 4.071  -11.428 35.140 -8.874 -1.750 1.699  0JU 5 OE   polymer 1 1 35 ? ? ? 
PRD_000910 N6  N6  N 0 1 N N N 5.841  -12.672 35.718 -7.568 -3.417 2.360  0JU 5 NE   polymer 1 1 36 ? ? ? 
PRD_000910 H1  H1  H 0 1 N N N -1.218 -24.816 39.242 9.129  -2.259 -0.239 BOC 1 H11  polymer 1 1 37 ? ? ? 
PRD_000910 H2  H2  H 0 1 N N N -2.574 -23.638 39.253 10.208 -1.899 1.130  BOC 1 H12  polymer 1 1 38 ? ? ? 
PRD_000910 H3  H3  H 0 1 N N N -2.230 -24.596 37.774 8.443  -1.815 1.342  BOC 1 H13  polymer 1 1 39 ? ? ? 
PRD_000910 H4  H4  H 0 1 N N N 0.860  -24.304 37.860 10.456 1.130  -1.019 BOC 1 H21  polymer 1 1 40 ? ? ? 
PRD_000910 H5  H5  H 0 1 N N N -0.193 -24.113 36.418 11.384 -0.179 -0.249 BOC 1 H22  polymer 1 1 41 ? ? ? 
PRD_000910 H6  H6  H 0 1 N N N 0.916  -22.786 36.902 10.305 -0.539 -1.618 BOC 1 H23  polymer 1 1 42 ? ? ? 
PRD_000910 H7  H7  H 0 1 N N N 0.332  -22.984 39.968 8.655  0.528  2.182  BOC 1 H31  polymer 1 1 43 ? ? ? 
PRD_000910 H8  H8  H 0 1 N N N 0.388  -21.450 39.035 10.420 0.445  1.970  BOC 1 H32  polymer 1 1 44 ? ? ? 
PRD_000910 H9  H9  H 0 1 N N N -1.079 -21.873 39.981 9.493  1.754  1.200  BOC 1 H33  polymer 1 1 45 ? ? ? 
PRD_000910 H10 H10 H 0 1 N N N -3.006 -19.992 37.160 5.654  0.646  -1.120 ALA 2 H    polymer 1 1 46 ? ? ? 
PRD_000910 H11 H11 H 0 1 N N N -0.988 -18.295 35.979 4.598  -0.734 1.227  ALA 2 HA   polymer 1 1 47 ? ? ? 
PRD_000910 H12 H12 H 0 1 N N N -2.629 -16.496 36.437 3.338  1.248  2.023  ALA 2 HB1  polymer 1 1 48 ? ? ? 
PRD_000910 H13 H13 H 0 1 N N N -3.437 -17.926 35.711 5.093  1.531  2.105  ALA 2 HB2  polymer 1 1 49 ? ? ? 
PRD_000910 H14 H14 H 0 1 N N N -3.577 -17.615 37.474 4.136  2.251  0.788  ALA 2 HB3  polymer 1 1 50 ? ? ? 
PRD_000910 H15 H15 H 0 1 N N N 0.321  -16.834 36.947 1.947  -0.261 1.121  VAL 3 H    polymer 1 1 51 ? ? ? 
PRD_000910 H16 H16 H 0 1 N N N 0.617  -17.041 39.932 1.081  0.138  -1.639 VAL 3 HA   polymer 1 1 52 ? ? ? 
PRD_000910 H17 H17 H 0 1 N N N 2.342  -16.566 37.470 0.647  -2.534 -0.231 VAL 3 HB   polymer 1 1 53 ? ? ? 
PRD_000910 H18 H18 H 0 0 N N N 4.323  -16.261 38.908 -0.122 -1.469 -2.985 VAL 3 HG11 polymer 1 1 54 ? ? ? 
PRD_000910 H19 H19 H 0 0 N N N 3.133  -14.929 39.102 -0.279 -3.169 -2.482 VAL 3 HG12 polymer 1 1 55 ? ? ? 
PRD_000910 H20 H20 H 0 0 N N N 3.259  -16.210 40.355 -1.232 -1.908 -1.665 VAL 3 HG13 polymer 1 1 56 ? ? ? 
PRD_000910 H21 H21 H 0 0 N N N 3.585  -18.530 38.334 2.981  -2.251 -1.017 VAL 3 HG21 polymer 1 1 57 ? ? ? 
PRD_000910 H22 H22 H 0 0 N N N 2.428  -18.636 39.704 2.112  -3.444 -2.012 VAL 3 HG22 polymer 1 1 58 ? ? ? 
PRD_000910 H23 H23 H 0 0 N N N 1.852  -18.881 38.020 2.383  -1.797 -2.631 VAL 3 HG23 polymer 1 1 59 ? ? ? 
PRD_000910 H24 H24 H 0 1 N N N 0.124  -15.224 41.053 -1.419 0.128  -1.731 LEU 4 H    polymer 1 1 60 ? ? ? 
PRD_000910 H25 H25 H 0 1 N N N -0.705 -12.746 39.805 -2.694 0.344  0.897  LEU 4 HA   polymer 1 1 61 ? ? ? 
PRD_000910 H26 H26 H 0 1 N N N 0.204  -13.545 42.628 -1.620 2.573  0.518  LEU 4 HB2  polymer 1 1 62 ? ? ? 
PRD_000910 H27 H27 H 0 1 N N N -0.559 -11.972 42.213 -2.527 2.724  -1.006 LEU 4 HB3  polymer 1 1 63 ? ? ? 
PRD_000910 H28 H28 H 0 1 N N N -1.771 -14.750 42.112 -4.661 2.451  0.310  LEU 4 HG   polymer 1 1 64 ? ? ? 
PRD_000910 H29 H29 H 0 0 N N N -3.462 -13.788 43.640 -4.564 2.674  2.755  LEU 4 HD11 polymer 1 1 65 ? ? ? 
PRD_000910 H30 H30 H 0 0 N N N -1.800 -13.716 44.318 -3.605 1.263  2.245  LEU 4 HD12 polymer 1 1 66 ? ? ? 
PRD_000910 H31 H31 H 0 0 N N N -2.560 -12.235 43.643 -2.788 2.779  2.698  LEU 4 HD13 polymer 1 1 67 ? ? ? 
PRD_000910 H32 H32 H 0 0 N N N -3.838 -13.722 41.228 -3.797 4.692  -0.305 LEU 4 HD21 polymer 1 1 68 ? ? ? 
PRD_000910 H33 H33 H 0 0 N N N -2.963 -12.165 41.028 -4.606 4.732  1.280  LEU 4 HD22 polymer 1 1 69 ? ? ? 
PRD_000910 H34 H34 H 0 0 N N N -2.462 -13.606 40.079 -2.828 4.729  1.187  LEU 4 HD23 polymer 1 1 70 ? ? ? 
PRD_000910 H35 H35 H 0 1 N Y N 2.110  -8.928  39.121 -7.662 0.909  -2.485 0JU 5 H1   polymer 1 1 71 ? ? ? 
PRD_000910 H36 H36 H 0 1 N N N 3.889  -8.183  40.184 -6.595 2.949  -2.334 0JU 5 HNF  polymer 1 1 72 ? ? ? 
PRD_000910 H37 H37 H 0 1 N N N 3.619  -11.570 39.759 -5.937 -0.891 -1.734 0JU 5 HA   polymer 1 1 73 ? ? ? 
PRD_000910 H38 H38 H 0 1 N N N 0.832  -11.591 38.673 -5.152 0.670  0.606  0JU 5 H    polymer 1 1 74 ? ? ? 
PRD_000910 H39 H39 H 0 1 N N N 2.836  -10.424 37.098 -7.517 0.190  0.642  0JU 5 H7   polymer 1 1 75 ? ? ? 
PRD_000910 H40 H40 H 0 1 N N N 2.645  -12.194 37.333 -8.196 -0.848 -0.635 0JU 5 H8   polymer 1 1 76 ? ? ? 
PRD_000910 H41 H41 H 0 1 N N N 5.049  -12.291 38.091 -6.539 -2.609 -0.085 0JU 5 H9   polymer 1 1 77 ? ? ? 
PRD_000910 H42 H42 H 0 1 N N N 5.206  -10.554 37.662 -5.860 -1.571 1.192  0JU 5 H10  polymer 1 1 78 ? ? ? 
PRD_000910 H43 H43 H 0 1 N N N 6.005  -12.963 34.775 -6.719 -3.879 2.285  0JU 5 H11  polymer 1 1 79 ? ? ? 
PRD_000910 H44 H44 H 0 1 N N N 6.438  -12.996 36.452 -8.242 -3.738 2.980  0JU 5 H12  polymer 1 1 80 ? ? ? 
# 
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_000910 O1  C1  DOUB N N 1  
PRD_000910 C1  O2  SING N N 2  
PRD_000910 O2  C2  SING N N 3  
PRD_000910 C2  C3  SING N N 4  
PRD_000910 C2  C4  SING N N 5  
PRD_000910 C2  C5  SING N N 6  
PRD_000910 C3  H1  SING N N 7  
PRD_000910 C3  H2  SING N N 8  
PRD_000910 C3  H3  SING N N 9  
PRD_000910 C4  H4  SING N N 10 
PRD_000910 C4  H5  SING N N 11 
PRD_000910 C4  H6  SING N N 12 
PRD_000910 C5  H7  SING N N 13 
PRD_000910 C5  H8  SING N N 14 
PRD_000910 C5  H9  SING N N 15 
PRD_000910 N1  C6  SING N N 16 
PRD_000910 N1  H10 SING N N 17 
PRD_000910 C6  C7  SING N N 18 
PRD_000910 C6  C8  SING N N 19 
PRD_000910 C6  H11 SING N N 20 
PRD_000910 C7  O3  DOUB N N 21 
PRD_000910 C8  H12 SING N N 22 
PRD_000910 C8  H13 SING N N 23 
PRD_000910 C8  H14 SING N N 24 
PRD_000910 N2  C9  SING N N 25 
PRD_000910 N2  H15 SING N N 26 
PRD_000910 C9  C10 SING N N 27 
PRD_000910 C9  C11 SING N N 28 
PRD_000910 C9  H16 SING N N 29 
PRD_000910 C10 O4  DOUB N N 30 
PRD_000910 C11 C12 SING N N 31 
PRD_000910 C11 C13 SING N N 32 
PRD_000910 C11 H17 SING N N 33 
PRD_000910 C12 H18 SING N N 34 
PRD_000910 C12 H19 SING N N 35 
PRD_000910 C12 H20 SING N N 36 
PRD_000910 C13 H21 SING N N 37 
PRD_000910 C13 H22 SING N N 38 
PRD_000910 C13 H23 SING N N 39 
PRD_000910 N3  C14 SING N N 40 
PRD_000910 N3  H24 SING N N 41 
PRD_000910 C14 C15 SING N N 42 
PRD_000910 C14 C16 SING N N 43 
PRD_000910 C14 H25 SING N N 44 
PRD_000910 C15 O5  DOUB N N 45 
PRD_000910 C16 C17 SING N N 46 
PRD_000910 C16 H26 SING N N 47 
PRD_000910 C16 H27 SING N N 48 
PRD_000910 C17 C18 SING N N 49 
PRD_000910 C17 C19 SING N N 50 
PRD_000910 C17 H28 SING N N 51 
PRD_000910 C18 H29 SING N N 52 
PRD_000910 C18 H30 SING N N 53 
PRD_000910 C18 H31 SING N N 54 
PRD_000910 C19 H32 SING N N 55 
PRD_000910 C19 H33 SING N N 56 
PRD_000910 C19 H34 SING N N 57 
PRD_000910 O6  C24 DOUB N N 58 
PRD_000910 N6  C24 SING N N 59 
PRD_000910 C24 C23 SING N N 60 
PRD_000910 C23 C22 SING N N 61 
PRD_000910 C22 C21 SING N N 62 
PRD_000910 C21 N5  SING N N 63 
PRD_000910 C21 C20 SING N N 64 
PRD_000910 C20 N4  DOUB N N 65 
PRD_000910 C20 H35 SING N N 66 
PRD_000910 N4  H36 SING N N 67 
PRD_000910 C21 H37 SING N N 68 
PRD_000910 N5  H38 SING N N 69 
PRD_000910 C22 H39 SING N N 70 
PRD_000910 C22 H40 SING N N 71 
PRD_000910 C23 H41 SING N N 72 
PRD_000910 C23 H42 SING N N 73 
PRD_000910 N6  H43 SING N N 74 
PRD_000910 N6  H44 SING N N 75 
PRD_000910 C1  N1  SING N N 76 
PRD_000910 C7  N2  SING N N 77 
PRD_000910 C10 N3  SING N N 78 
PRD_000910 C15 N5  SING N N 79 
# 
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_000910 SMILES           ACDLabs              12.01 "O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=[N@H])CCC(=O)N)CC(C)C)C(C)C)C"                                                                                                                                                         
PRD_000910 InChI            InChI                1.03  "InChI=1S/C24H44N6O6/c1-13(2)11-17(21(33)28-16(12-25)9-10-18(26)31)29-22(34)19(14(3)4)30-20(32)15(5)27-23(35)36-24(6,7)8/h12-17,19,25H,9-11H2,1-8H3,(H2,26,31)(H,27,35)(H,28,33)(H,29,34)(H,30,32)/b25-12+/t15-,16+,17-,19+/m0/s1" 
PRD_000910 InChIKey         InChI                1.03  ULFUAWXYVJGOOG-SHWWFGARSA-N                                                                                                                                                                                                        
PRD_000910 SMILES_CANONICAL CACTVS               3.370 "CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CCC(N)=O)C=N"                                                                                                                                           
PRD_000910 SMILES           CACTVS               3.370 "CC(C)C[CH](NC(=O)[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[CH](CCC(N)=O)C=N"                                                                                                                                                 
PRD_000910 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C=N)NC(=O)OC(C)(C)C"                                                                                                                                         
PRD_000910 SMILES           "OpenEye OEToolkits" 1.7.6 "CC(C)CC(C(=O)NC(CCC(=O)N)C=N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OC(C)(C)C"                                                                                                                                                             
# 
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_000910 "SYSTEMATIC NAME" ACDLabs              12.01 "N-(tert-butoxycarbonyl)-L-alanyl-L-valyl-N-[(2R)-5-amino-1-imino-5-oxopentan-2-yl]-L-leucinamide"                                                                                                                                     
PRD_000910 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-azanyl-1-azanylidene-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate" 
# 
