data_PRDCC_000241
# 
_chem_comp.id                                    PRD_000241 
_chem_comp.name                                  "N-acetyl-L-leucyl-L-alpha-aspartyl-L-alpha-glutamyl-L-seryl-L-aspartic aldehyde" 
_chem_comp.formula                               "C24 H39 N5 O13" 
_chem_comp.formula_weight                        605.592 
_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_000241 C1  C1  C 0 1 N N N 29.056 66.742 17.675 6.554  -1.877 1.125  ACE 1 C    polymer 1 1 1  ? ? ? 
PRD_000241 O1  O1  O 0 1 N N N 28.396 67.500 16.952 5.452  -2.265 0.798  ACE 1 O    polymer 1 1 2  ? ? ? 
PRD_000241 C2  C2  C 0 1 N N N 29.546 67.282 18.995 7.402  -2.710 2.050  ACE 1 CH3  polymer 1 1 3  ? ? ? 
PRD_000241 N1  N1  N 0 1 N N N 29.429 65.562 17.543 7.021  -0.703 0.656  LEU 2 N    polymer 1 1 4  ? ? ? 
PRD_000241 C3  C3  C 0 1 N N S 29.050 64.846 16.309 6.199  0.104  -0.249 LEU 2 CA   polymer 1 1 5  ? ? ? 
PRD_000241 C4  C4  C 0 1 N N N 28.496 63.464 16.667 4.910  0.474  0.439  LEU 2 C    polymer 1 1 6  ? ? ? 
PRD_000241 O2  O2  O 0 1 N N N 28.963 62.841 17.624 4.527  -0.167 1.395  LEU 2 O    polymer 1 1 7  ? ? ? 
PRD_000241 C5  C5  C 0 1 N N N 30.284 64.660 15.397 5.889  -0.702 -1.512 LEU 2 CB   polymer 1 1 8  ? ? ? 
PRD_000241 C6  C6  C 0 1 N N N 31.032 65.906 14.880 7.187  -0.971 -2.276 LEU 2 CG   polymer 1 1 9  ? ? ? 
PRD_000241 C7  C7  C 0 1 N N N 32.219 65.455 14.023 6.896  -1.880 -3.471 LEU 2 CD1  polymer 1 1 10 ? ? ? 
PRD_000241 C8  C8  C 0 1 N N N 30.094 66.774 14.036 7.770  0.354  -2.774 LEU 2 CD2  polymer 1 1 11 ? ? ? 
PRD_000241 N2  N2  N 0 1 N N N 27.502 62.984 15.903 4.183  1.518  -0.008 ASP 3 N    polymer 1 1 12 ? ? ? 
PRD_000241 C9  C9  C 0 1 N N S 26.906 61.665 16.183 2.880  1.813  0.592  ASP 3 CA   polymer 1 1 13 ? ? ? 
PRD_000241 C10 C10 C 0 1 N N N 27.628 60.532 15.421 1.832  0.918  -0.018 ASP 3 C    polymer 1 1 14 ? ? ? 
PRD_000241 O3  O3  O 0 1 N N N 27.951 60.612 14.217 2.143  0.113  -0.870 ASP 3 O    polymer 1 1 15 ? ? ? 
PRD_000241 C11 C11 C 0 1 N N N 25.387 61.671 15.856 2.517  3.276  0.330  ASP 3 CB   polymer 1 1 16 ? ? ? 
PRD_000241 C12 C12 C 0 1 N N N 24.626 62.738 16.663 3.487  4.172  1.056  ASP 3 CG   polymer 1 1 17 ? ? ? 
PRD_000241 O4  O4  O 0 1 N N N 24.801 62.748 17.892 4.315  3.693  1.795  ASP 3 OD1  polymer 1 1 18 ? ? ? 
PRD_000241 O5  O5  O 0 1 N N N 23.853 63.532 16.106 3.432  5.502  0.882  ASP 3 OD2  polymer 1 1 19 ? ? ? 
PRD_000241 N3  N3  N 0 1 N N N 27.858 59.455 16.196 0.549  1.012  0.383  GLU 4 N    polymer 1 1 20 ? ? ? 
PRD_000241 C13 C13 C 0 1 N N S 28.506 58.195 15.786 -0.470 0.143  -0.210 GLU 4 CA   polymer 1 1 21 ? ? ? 
PRD_000241 C14 C14 C 0 1 N N N 27.635 57.034 16.276 -1.821 0.801  -0.095 GLU 4 C    polymer 1 1 22 ? ? ? 
PRD_000241 O6  O6  O 0 1 N N N 26.736 57.247 17.108 -1.923 1.889  0.430  GLU 4 O    polymer 1 1 23 ? ? ? 
PRD_000241 C15 C15 C 0 1 N N N 29.936 58.019 16.365 -0.491 -1.197 0.529  GLU 4 CB   polymer 1 1 24 ? ? ? 
PRD_000241 C16 C16 C 0 1 N N N 30.611 59.250 16.957 0.839  -1.921 0.309  GLU 4 CG   polymer 1 1 25 ? ? ? 
PRD_000241 C17 C17 C 0 1 N N N 32.012 58.955 17.486 0.818  -3.241 1.037  GLU 4 CD   polymer 1 1 26 ? ? ? 
PRD_000241 O7  O7  O 0 1 N N N 32.149 58.221 18.498 -0.159 -3.568 1.667  GLU 4 OE1  polymer 1 1 27 ? ? ? 
PRD_000241 O8  O8  O 0 1 N N N 32.984 59.465 16.885 1.886  -4.053 0.985  GLU 4 OE2  polymer 1 1 28 ? ? ? 
PRD_000241 N4  N4  N 0 1 N N N 27.889 55.823 15.777 -2.916 0.180  -0.577 SER 5 N    polymer 1 1 29 ? ? ? 
PRD_000241 C18 C18 C 0 1 N N S 27.101 54.640 16.188 -4.229 0.820  -0.465 SER 5 CA   polymer 1 1 30 ? ? ? 
PRD_000241 C19 C19 C 0 1 N N N 27.858 53.749 17.185 -5.305 -0.235 -0.483 SER 5 C    polymer 1 1 31 ? ? ? 
PRD_000241 O9  O9  O 0 1 N N N 29.090 53.698 17.268 -5.004 -1.406 -0.579 SER 5 O    polymer 1 1 32 ? ? ? 
PRD_000241 C20 C20 C 0 1 N N N 26.735 53.798 14.956 -4.433 1.775  -1.643 SER 5 CB   polymer 1 1 33 ? ? ? 
PRD_000241 O10 O10 O 0 1 N N N 27.882 53.166 14.397 -4.479 1.028  -2.860 SER 5 OG   polymer 1 1 34 ? ? ? 
PRD_000241 C21 C21 C 0 1 N N N 27.187 50.444 18.537 -7.997 -1.251 -1.856 ASJ 6 C    polymer 1 1 35 ? ? ? 
PRD_000241 N5  N5  N 0 1 N N N 27.193 52.863 18.107 -6.601 0.122  -0.391 ASJ 6 N    polymer 1 1 36 ? ? ? 
PRD_000241 O11 O11 O 0 1 N N N 27.809 49.492 19.102 -8.576 -0.111 -2.494 ASJ 6 O    polymer 1 1 37 ? ? ? 
PRD_000241 C22 C22 C 0 1 N N S 27.482 51.811 19.095 -7.647 -0.904 -0.408 ASJ 6 CA   polymer 1 1 38 ? ? ? 
PRD_000241 C23 C23 C 0 1 N N N 26.554 52.073 20.310 -8.893 -0.373 0.304  ASJ 6 CB   polymer 1 1 39 ? ? ? 
PRD_000241 C24 C24 C 0 1 N N N 27.076 53.150 21.238 -8.580 -0.147 1.761  ASJ 6 CG   polymer 1 1 40 ? ? ? 
PRD_000241 O12 O12 O 0 1 N N N 26.325 53.618 22.123 -9.531 0.320  2.587  ASJ 6 OD1  polymer 1 1 41 ? ? ? 
PRD_000241 O13 O13 O 0 1 N N N 28.277 53.568 21.110 -7.475 -0.385 2.186  ASJ 6 OD2  polymer 1 1 42 ? ? ? 
PRD_000241 H1  H1  H 0 1 N N N 29.218 68.326 19.109 6.863  -3.619 2.318  ACE 1 H1   polymer 1 1 43 ? ? ? 
PRD_000241 H2  H2  H 0 1 N N N 29.133 66.676 19.815 8.334  -2.974 1.550  ACE 1 H2   polymer 1 1 44 ? ? ? 
PRD_000241 H3  H3  H 0 1 N N N 30.645 67.238 19.024 7.623  -2.140 2.953  ACE 1 H3   polymer 1 1 45 ? ? ? 
PRD_000241 H4  H4  H 0 1 N N N 29.970 65.112 18.253 7.902  -0.393 0.917  LEU 2 H    polymer 1 1 46 ? ? ? 
PRD_000241 H5  H5  H 0 1 N N N 28.282 65.415 15.764 6.740  1.011  -0.520 LEU 2 HA   polymer 1 1 47 ? ? ? 
PRD_000241 H6  H6  H 0 1 N N N 31.012 64.059 15.961 5.428  -1.649 -1.235 LEU 2 HB2  polymer 1 1 48 ? ? ? 
PRD_000241 H7  H7  H 0 1 N N N 29.949 64.097 14.514 5.206  -0.136 -2.145 LEU 2 HB3  polymer 1 1 49 ? ? ? 
PRD_000241 H8  H8  H 0 1 N N N 31.400 66.490 15.736 7.904  -1.457 -1.615 LEU 2 HG   polymer 1 1 50 ? ? ? 
PRD_000241 H9  H9  H 0 0 N N N 32.759 66.338 13.650 6.180  -1.394 -4.133 LEU 2 HD11 polymer 1 1 51 ? ? ? 
PRD_000241 H10 H10 H 0 0 N N N 32.898 64.840 14.632 7.821  -2.072 -4.016 LEU 2 HD12 polymer 1 1 52 ? ? ? 
PRD_000241 H11 H11 H 0 0 N N N 31.852 64.862 13.172 6.481  -2.824 -3.117 LEU 2 HD13 polymer 1 1 53 ? ? ? 
PRD_000241 H12 H12 H 0 0 N N N 30.639 67.658 13.674 8.695  0.162  -3.318 LEU 2 HD21 polymer 1 1 54 ? ? ? 
PRD_000241 H13 H13 H 0 0 N N N 29.729 66.191 13.177 7.053  0.841  -3.435 LEU 2 HD22 polymer 1 1 55 ? ? ? 
PRD_000241 H14 H14 H 0 0 N N N 29.240 67.096 14.651 7.977  1.002  -1.922 LEU 2 HD23 polymer 1 1 56 ? ? ? 
PRD_000241 H15 H15 H 0 1 N N N 27.162 63.527 15.135 4.523  2.073  -0.727 ASP 3 H    polymer 1 1 57 ? ? ? 
PRD_000241 H16 H16 H 0 1 N N N 27.010 61.459 17.259 2.927  1.637  1.667  ASP 3 HA   polymer 1 1 58 ? ? ? 
PRD_000241 H17 H17 H 0 1 N N N 25.256 61.877 14.783 2.568  3.477  -0.740 ASP 3 HB2  polymer 1 1 59 ? ? ? 
PRD_000241 H18 H18 H 0 1 N N N 24.969 60.682 16.093 1.506  3.469  0.688  ASP 3 HB3  polymer 1 1 60 ? ? ? 
PRD_000241 H19 H19 H 0 1 N N N 23.458 64.099 16.757 4.075  6.035  1.368  ASP 3 HD2  polymer 1 1 61 ? ? ? 
PRD_000241 H20 H20 H 0 1 N N N 27.558 59.516 17.148 0.300  1.656  1.065  GLU 4 H    polymer 1 1 62 ? ? ? 
PRD_000241 H21 H21 H 0 1 N N N 28.566 58.153 14.688 -0.236 -0.026 -1.261 GLU 4 HA   polymer 1 1 63 ? ? ? 
PRD_000241 H22 H22 H 0 1 N N N 29.879 57.260 17.159 -0.636 -1.021 1.595  GLU 4 HB2  polymer 1 1 64 ? ? ? 
PRD_000241 H23 H23 H 0 1 N N N 30.578 57.650 15.551 -1.307 -1.810 0.147  GLU 4 HB3  polymer 1 1 65 ? ? ? 
PRD_000241 H24 H24 H 0 1 N N N 30.685 60.021 16.176 0.984  -2.097 -0.757 GLU 4 HG2  polymer 1 1 66 ? ? ? 
PRD_000241 H25 H25 H 0 1 N N N 29.993 59.626 17.786 1.655  -1.308 0.691  GLU 4 HG3  polymer 1 1 67 ? ? ? 
PRD_000241 H26 H26 H 0 1 N N N 33.792 59.207 17.313 1.826  -4.888 1.468  GLU 4 HE2  polymer 1 1 68 ? ? ? 
PRD_000241 H27 H27 H 0 1 N N N 28.627 55.713 15.111 -2.835 -0.690 -0.997 SER 5 H    polymer 1 1 69 ? ? ? 
PRD_000241 H28 H28 H 0 1 N N N 26.169 54.978 16.665 -4.283 1.378  0.469  SER 5 HA   polymer 1 1 70 ? ? ? 
PRD_000241 H29 H29 H 0 1 N N N 26.010 53.026 15.253 -5.370 2.316  -1.514 SER 5 HB2  polymer 1 1 71 ? ? ? 
PRD_000241 H30 H30 H 0 1 N N N 26.282 54.453 14.197 -3.606 2.484  -1.683 SER 5 HB3  polymer 1 1 72 ? ? ? 
PRD_000241 H31 H31 H 0 1 N N N 27.624 52.654 13.639 -4.606 1.571  -3.650 SER 5 HG   polymer 1 1 73 ? ? ? 
PRD_000241 H32 H32 H 0 1 N N N 27.457 50.444 17.471 -8.710 -2.076 -1.870 ASJ 6 H3   polymer 1 1 74 ? ? ? 
PRD_000241 H33 H33 H 0 1 N Y N 26.108 50.257 18.642 -7.092 -1.545 -2.388 ASJ 6 HAA  polymer 1 1 75 ? ? ? 
PRD_000241 H34 H34 H 0 1 N N N 26.205 53.013 18.060 -6.842 1.059  -0.315 ASJ 6 H    polymer 1 1 76 ? ? ? 
PRD_000241 H35 H35 H 0 1 N N N 27.568 48.669 18.693 -8.823 -0.259 -3.417 ASJ 6 HO   polymer 1 1 77 ? ? ? 
PRD_000241 H36 H36 H 0 1 N N N 28.532 51.866 19.419 -7.288 -1.797 0.104  ASJ 6 HA   polymer 1 1 78 ? ? ? 
PRD_000241 H37 H37 H 0 1 N N N 25.567 52.382 19.936 -9.200 0.568  -0.152 ASJ 6 HB   polymer 1 1 79 ? ? ? 
PRD_000241 H38 H38 H 0 1 N N N 26.453 51.138 20.881 -9.700 -1.101 0.215  ASJ 6 HBA  polymer 1 1 80 ? ? ? 
PRD_000241 H39 H39 H 0 0 N N N 26.794 54.277 22.621 -9.283 0.449  3.512  ASJ 6 HOD1 polymer 1 1 81 ? ? ? 
# 
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_000241 C1  O1  DOUB N N 1  
PRD_000241 C1  C2  SING N N 2  
PRD_000241 C2  H1  SING N N 3  
PRD_000241 C2  H2  SING N N 4  
PRD_000241 C2  H3  SING N N 5  
PRD_000241 N1  C3  SING N N 6  
PRD_000241 N1  H4  SING N N 7  
PRD_000241 C3  C4  SING N N 8  
PRD_000241 C3  C5  SING N N 9  
PRD_000241 C3  H5  SING N N 10 
PRD_000241 C4  O2  DOUB N N 11 
PRD_000241 C5  C6  SING N N 12 
PRD_000241 C5  H6  SING N N 13 
PRD_000241 C5  H7  SING N N 14 
PRD_000241 C6  C7  SING N N 15 
PRD_000241 C6  C8  SING N N 16 
PRD_000241 C6  H8  SING N N 17 
PRD_000241 C7  H9  SING N N 18 
PRD_000241 C7  H10 SING N N 19 
PRD_000241 C7  H11 SING N N 20 
PRD_000241 C8  H12 SING N N 21 
PRD_000241 C8  H13 SING N N 22 
PRD_000241 C8  H14 SING N N 23 
PRD_000241 N2  C9  SING N N 24 
PRD_000241 N2  H15 SING N N 25 
PRD_000241 C9  C10 SING N N 26 
PRD_000241 C9  C11 SING N N 27 
PRD_000241 C9  H16 SING N N 28 
PRD_000241 C10 O3  DOUB N N 29 
PRD_000241 C11 C12 SING N N 30 
PRD_000241 C11 H17 SING N N 31 
PRD_000241 C11 H18 SING N N 32 
PRD_000241 C12 O4  DOUB N N 33 
PRD_000241 C12 O5  SING N N 34 
PRD_000241 O5  H19 SING N N 35 
PRD_000241 N3  C13 SING N N 36 
PRD_000241 N3  H20 SING N N 37 
PRD_000241 C13 C14 SING N N 38 
PRD_000241 C13 C15 SING N N 39 
PRD_000241 C13 H21 SING N N 40 
PRD_000241 C14 O6  DOUB N N 41 
PRD_000241 C15 C16 SING N N 42 
PRD_000241 C15 H22 SING N N 43 
PRD_000241 C15 H23 SING N N 44 
PRD_000241 C16 C17 SING N N 45 
PRD_000241 C16 H24 SING N N 46 
PRD_000241 C16 H25 SING N N 47 
PRD_000241 C17 O7  DOUB N N 48 
PRD_000241 C17 O8  SING N N 49 
PRD_000241 O8  H26 SING N N 50 
PRD_000241 N4  C18 SING N N 51 
PRD_000241 N4  H27 SING N N 52 
PRD_000241 C18 C19 SING N N 53 
PRD_000241 C18 C20 SING N N 54 
PRD_000241 C18 H28 SING N N 55 
PRD_000241 C19 O9  DOUB N N 56 
PRD_000241 C20 O10 SING N N 57 
PRD_000241 C20 H29 SING N N 58 
PRD_000241 C20 H30 SING N N 59 
PRD_000241 O10 H31 SING N N 60 
PRD_000241 C21 O11 SING N N 61 
PRD_000241 C21 C22 SING N N 62 
PRD_000241 C21 H32 SING N N 63 
PRD_000241 C21 H33 SING N N 64 
PRD_000241 C22 N5  SING N N 65 
PRD_000241 N5  H34 SING N N 66 
PRD_000241 O11 H35 SING N N 67 
PRD_000241 C23 C22 SING N N 68 
PRD_000241 C22 H36 SING N N 69 
PRD_000241 C23 C24 SING N N 70 
PRD_000241 C23 H37 SING N N 71 
PRD_000241 C23 H38 SING N N 72 
PRD_000241 C24 O13 DOUB N N 73 
PRD_000241 C24 O12 SING N N 74 
PRD_000241 O12 H39 SING N N 75 
PRD_000241 C1  N1  SING N N 76 
PRD_000241 C19 N5  SING N N 77 
PRD_000241 C4  N2  SING N N 78 
PRD_000241 C10 N3  SING N N 79 
PRD_000241 C14 N4  SING N N 80 
# 
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_000241 SMILES           ACDLabs              12.01 "O=C(NC(CC(=O)O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(=O)O)CCC(=O)O)CO"                                                                                                                                                                    
PRD_000241 InChI            InChI                1.03  "InChI=1S/C24H39N5O13/c1-11(2)6-15(25-12(3)32)22(40)28-16(8-20(37)38)23(41)27-14(4-5-18(33)34)21(39)29-17(10-31)24(42)26-13(9-30)7-19(35)36/h11,13-17,30-31H,4-10H2,1-3H3,(H,25,32)(H,26,42)(H,27,41)(H,28,40)(H,29,39)(H,33,34)(H,35,36)(H,37,38)" 
PRD_000241 InChIKey         InChI                1.03  KYQNCUWUPIOFBZ-UHFFFAOYSA-N                                                                                                                                                                                                                         
PRD_000241 SMILES_CANONICAL CACTVS               3.370 "CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)CC(O)=O"                                                                                                                                             
PRD_000241 SMILES           CACTVS               3.370 "CC(C)C[CH](NC(C)=O)C(=O)N[CH](CC(O)=O)C(=O)N[CH](CCC(O)=O)C(=O)N[CH](CO)C(=O)N[CH](CO)CC(O)=O"                                                                                                                                                     
PRD_000241 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)CO)NC(=O)C"                                                                                                                                           
PRD_000241 SMILES           "OpenEye OEToolkits" 1.7.6 "CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)O)CO)NC(=O)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_000241 "SYSTEMATIC NAME" ACDLabs              12.01 "N-acetyl-L-leucyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(2R)-1-carboxy-3-hydroxypropan-2-yl]-L-serinamide"                                                                                                                                                   
PRD_000241 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(4S)-4-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S)-1,4-bis(oxidanyl)-4-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid" 
# 
