data_AUA
# 
_chem_comp.id                                    AUA 
_chem_comp.name                                  
"(1R,2R)-2-{(1S,2S)-2-[(S)-2-((S)-2-ACETYLAMINO-4-METHYL-PENTANOYLAMINO)-4-METHYLSULFANYL-BUTYRYLAMINO]-1-HYDROXY-4-METHYL-PENTYL}-4-OXO-CYCLOPENTANECARBOXYLIC ACID ((S)-1-BUTYLCARBAMOYL-2-METHYL-PROPYL)-AMIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H61 N5 O7 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-01-26 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        683.942 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AUA 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1YM2 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
AUA S1   S1   S 0 1 N N N 23.381 4.681  15.770 -3.181  2.848  -3.207 S1   AUA 1   
AUA C2   C2   C 0 1 N N N 24.960 4.915  16.686 -3.893  1.564  -2.141 C2   AUA 2   
AUA C5   C5   C 0 1 N N N 25.991 5.622  15.764 -2.767  0.730  -1.526 C5   AUA 3   
AUA C8   C8   C 0 1 N N S 27.415 5.700  16.422 -3.368  -0.352 -0.627 C8   AUA 4   
AUA N10  N10  N 0 1 N N N 27.478 6.779  17.418 -4.048  0.278  0.508  N10  AUA 5   
AUA C12  C12  C 0 1 N N N 27.131 6.528  18.703 -5.323  0.697  0.381  C12  AUA 6   
AUA O13  O13  O 0 1 N N N 26.780 5.427  19.108 -5.906  0.554  -0.673 O13  AUA 7   
AUA C14  C14  C 0 1 N N S 27.179 7.697  19.676 -6.023  1.345  1.548  C14  AUA 8   
AUA N16  N16  N 0 1 N N N 26.179 7.551  20.708 -7.165  2.123  1.061  N16  AUA 9   
AUA C18  C18  C 0 1 N N N 24.868 7.561  20.392 -8.158  1.512  0.385  C18  AUA 10  
AUA O19  O19  O 0 1 N N N 24.439 7.698  19.255 -8.105  0.318  0.179  O19  AUA 11  
AUA C20  C20  C 0 1 N N N 23.910 7.390  21.540 -9.333  2.312  -0.115 C20  AUA 12  
AUA C24  C24  C 0 1 N N N 28.519 7.805  20.442 -6.515  0.264  2.511  C24  AUA 13  
AUA C27  C27  C 0 1 N N N 29.641 8.416  19.593 -7.157  0.923  3.734  C27  AUA 14  
AUA C29  C29  C 0 1 N N N 30.831 8.562  20.591 -7.789  -0.151 4.620  C29  AUA 15  
AUA C33  C33  C 0 1 N N N 29.214 9.883  19.313 -6.087  1.675  4.528  C33  AUA 16  
AUA C37  C37  C 0 1 N N N 28.467 6.032  15.395 -2.269  -1.250 -0.118 C37  AUA 17  
AUA O38  O38  O 0 1 N N N 28.155 6.481  14.298 -2.074  -1.353 1.074  O38  AUA 18  
AUA N39  N39  N 0 1 N N N 29.739 5.798  15.780 -1.504  -1.937 -0.989 N39  AUA 19  
AUA C41  C41  C 0 1 N N S 30.837 6.123  14.872 -0.513  -2.897 -0.494 C41  AUA 20  
AUA C43  C43  C 0 1 N N S 31.501 4.884  14.264 0.851   -2.586 -1.113 C43  AUA 21  
AUA O45  O45  O 0 1 N N N 32.067 4.032  15.303 0.752   -2.641 -2.537 O45  AUA 22  
AUA C47  C47  C 0 1 N N R 30.520 4.081  13.383 1.297   -1.185 -0.687 C47  AUA 23  
AUA C49  C49  C 0 1 N N R 31.384 3.200  12.447 2.696   -0.876 -1.252 C49  AUA 24  
AUA C51  C51  C 0 1 N N N 30.587 1.889  12.259 2.524   0.357  -2.164 C51  AUA 25  
AUA C54  C54  C 0 1 N N N 29.521 1.949  13.330 1.269   1.045  -1.638 C54  AUA 26  
AUA C55  C55  C 0 1 N N N 29.583 3.162  14.203 0.352   -0.121 -1.286 C55  AUA 27  
AUA O58  O58  O 0 1 N N N 28.674 1.078  13.467 1.053   2.228  -1.527 O58  AUA 28  
AUA C59  C59  C 0 1 N N N 31.458 3.883  11.078 3.652   -0.562 -0.130 C59  AUA 29  
AUA O60  O60  O 0 1 N N N 30.538 4.603  10.735 3.269   -0.599 1.020  O60  AUA 30  
AUA N61  N61  N 0 1 N N N 32.529 3.672  10.314 4.932   -0.242 -0.405 N61  AUA 31  
AUA C63  C63  C 0 1 N N S 32.576 4.289  9.038  5.861   0.062  0.686  C63  AUA 32  
AUA C65  C65  C 0 1 N N N 34.034 4.214  8.434  6.456   -1.239 1.227  C65  AUA 33  
AUA C67  C67  C 0 1 N N N 33.996 5.052  7.109  5.332   -2.136 1.749  C67  AUA 34  
AUA C71  C71  C 0 1 N N N 34.546 2.739  8.218  7.205   -1.962 0.105  C71  AUA 35  
AUA C75  C75  C 0 1 N N N 31.521 3.682  8.130  6.968   0.945  0.171  C75  AUA 36  
AUA O76  O76  O 0 1 N N N 31.208 2.508  8.289  6.980   1.287  -0.993 O76  AUA 37  
AUA N77  N77  N 0 1 N N N 30.980 4.494  7.195  7.945   1.356  1.003  N77  AUA 38  
AUA C79  C79  C 0 1 N N N 29.950 3.952  6.319  9.021   2.214  0.503  C79  AUA 39  
AUA C82  C82  C 0 1 N N N 28.519 4.216  6.863  9.992   2.532  1.642  C82  AUA 40  
AUA C85  C85  C 0 1 N N N 27.971 5.521  6.256  11.116  3.429  1.119  C85  AUA 41  
AUA C88  C88  C 0 1 N N N 26.540 5.764  6.773  12.087  3.747  2.258  C88  AUA 42  
AUA C92  C92  C 0 1 N N N 31.886 6.952  15.639 -0.938  -4.314 -0.882 C92  AUA 43  
AUA C95  C95  C 0 1 N N N 31.272 8.325  16.021 0.024   -5.325 -0.254 C95  AUA 44  
AUA C97  C97  C 0 1 N N N 32.265 9.092  16.913 -0.113  -5.281 1.269  C97  AUA 45  
AUA C98  C98  C 0 1 N N N 31.039 9.147  14.731 -0.314  -6.730 -0.756 C98  AUA 46  
AUA C99  C99  C 0 1 N N N 22.719 6.332  16.046 -4.699  3.657  -3.783 C99  AUA 47  
AUA H21  1H2  H 0 1 N N N 25.353 3.958  17.102 -4.541  0.919  -2.733 H21  AUA 48  
AUA H22  2H2  H 0 1 N N N 24.813 5.458  17.649 -4.474  2.033  -1.347 H22  AUA 49  
AUA H51  1H5  H 0 1 N N N 25.632 6.632  15.456 -2.119  1.376  -0.934 H51  AUA 50  
AUA H52  2H5  H 0 1 N N N 26.035 5.137  14.761 -2.187  0.262  -2.320 H52  AUA 51  
AUA H8   H8   H 0 1 N N N 27.598 4.704  16.888 -4.084  -0.943 -1.198 H8   AUA 52  
AUA H10  H10  H 0 1 N N N 27.772 7.733  17.211 -3.582  0.392  1.350  H10  AUA 53  
AUA H14  H14  H 0 1 N N N 27.019 8.595  19.035 -5.328  2.005  2.067  H14  AUA 54  
AUA H16  H16  H 0 1 N N N 26.407 7.437  21.696 -7.207  3.078  1.226  H16  AUA 55  
AUA H201 1H20 H 0 0 N N N 24.116 8.158  22.322 -9.205  3.358  0.163  H201 AUA 56  
AUA H202 2H20 H 0 0 N N N 22.826 7.398  21.279 -9.393  2.229  -1.200 H202 AUA 57  
AUA H203 3H20 H 0 0 N N N 24.156 6.459  22.102 -10.250 1.927  0.330  H203 AUA 58  
AUA H241 1H24 H 0 0 N N N 28.824 6.815  20.855 -7.252  -0.363 2.008  H241 AUA 59  
AUA H242 2H24 H 0 0 N N N 28.389 8.367  21.397 -5.673  -0.350 2.830  H242 AUA 60  
AUA H27  H27  H 0 1 N N N 29.863 7.833  18.669 -7.926  1.623  3.407  H27  AUA 61  
AUA H291 1H29 H 0 0 N N N 31.112 7.617  21.111 -7.008  -0.800 5.018  H291 AUA 62  
AUA H292 2H29 H 0 0 N N N 31.647 9.006  19.974 -8.321  0.324  5.444  H292 AUA 63  
AUA H293 3H29 H 0 0 N N N 30.588 9.139  21.514 -8.488  -0.744 4.030  H293 AUA 64  
AUA H331 1H33 H 0 0 N N N 28.988 10.465 20.237 -5.636  2.441  3.896  H331 AUA 65  
AUA H332 2H33 H 0 0 N N N 30.030 10.327 18.696 -6.544  2.145  5.399  H332 AUA 66  
AUA H333 3H33 H 0 0 N N N 28.205 9.972  18.847 -5.318  0.975  4.855  H333 AUA 67  
AUA H39  H39  H 0 1 N N N 29.864 5.396  16.709 -1.609  -1.797 -1.943 H39  AUA 68  
AUA H41  H41  H 0 1 N N N 30.410 6.704  14.022 -0.446  -2.822 0.591  H41  AUA 69  
AUA H43  H43  H 0 1 N N N 32.329 5.243  13.609 1.581   -3.319 -0.770 H43  AUA 70  
AUA H45  H45  H 0 1 N N N 32.479 3.264  14.926 0.098   -1.979 -2.798 H45  AUA 71  
AUA H47  H47  H 0 1 N N N 29.866 4.796  12.831 1.307   -1.109 0.400  H47  AUA 72  
AUA H49  H49  H 0 1 N N N 32.407 3.034  12.857 3.062   -1.723 -1.832 H49  AUA 73  
AUA H511 1H51 H 0 0 N N N 31.212 0.966  12.286 3.386   1.019  -2.077 H511 AUA 74  
AUA H512 2H51 H 0 0 N N N 30.192 1.738  11.228 2.384   0.049  -3.200 H512 AUA 75  
AUA H551 1H55 H 0 0 N N N 28.596 3.606  14.473 -0.391  0.187  -0.550 H551 AUA 76  
AUA H552 2H55 H 0 0 N N N 29.900 2.976  15.256 -0.136  -0.506 -2.182 H552 AUA 77  
AUA H61  H61  H 0 1 N N N 33.268 3.074  10.684 5.237   -0.213 -1.325 H61  AUA 78  
AUA H63  H63  H 0 1 N N N 32.336 5.374  9.137  5.327   0.577  1.485  H63  AUA 79  
AUA H65  H65  H 0 1 N N N 34.777 4.637  9.150  7.148   -1.013 2.038  H65  AUA 80  
AUA H671 1H67 H 0 0 N N N 33.627 6.094  7.252  5.757   -3.063 2.135  H671 AUA 81  
AUA H672 2H67 H 0 0 N N N 35.025 4.999  6.683  4.799   -1.621 2.548  H672 AUA 82  
AUA H673 3H67 H 0 0 N N N 33.202 4.724  6.398  4.641   -2.362 0.938  H673 AUA 83  
AUA H711 1H71 H 0 0 N N N 33.828 2.159  7.592  8.006   -1.323 -0.267 H711 AUA 84  
AUA H712 2H71 H 0 0 N N N 35.575 2.686  7.792  7.630   -2.889 0.490  H712 AUA 85  
AUA H713 3H71 H 0 0 N N N 34.480 2.155  9.165  6.514   -2.188 -0.706 H713 AUA 86  
AUA H77  H77  H 0 1 N N N 31.326 5.453  7.153  7.936   1.083  1.934  H77  AUA 87  
AUA H791 1H79 H 0 0 N N N 30.115 2.866  6.127  8.597   3.142  0.117  H791 AUA 88  
AUA H792 2H79 H 0 0 N N N 30.063 4.335  5.278  9.555   1.699  -0.296 H792 AUA 89  
AUA H821 1H82 H 0 0 N N N 28.487 4.224  7.978  10.416  1.605  2.027  H821 AUA 90  
AUA H822 2H82 H 0 0 N N N 27.836 3.352  6.690  9.458   3.047  2.441  H822 AUA 91  
AUA H851 1H85 H 0 0 N N N 28.023 5.523  5.142  10.692  4.356  0.734  H851 AUA 92  
AUA H852 2H85 H 0 0 N N N 28.642 6.390  6.448  11.650  2.914  0.320  H852 AUA 93  
AUA H881 1H88 H 0 0 N N N 26.488 5.762  7.887  11.553  4.262  3.057  H881 AUA 94  
AUA H882 2H88 H 0 0 N N N 26.143 6.709  6.334  12.511  2.820  2.643  H882 AUA 95  
AUA H883 3H88 H 0 0 N N N 25.869 4.895  6.581  12.887  4.386  1.886  H883 AUA 96  
AUA H921 1H92 H 0 0 N N N 32.839 7.058  15.071 -1.949  -4.502 -0.521 H921 AUA 97  
AUA H922 2H92 H 0 0 N N N 32.290 6.408  16.525 -0.915  -4.416 -1.967 H922 AUA 98  
AUA H95  H95  H 0 1 N N N 30.310 8.169  16.562 1.047   -5.075 -0.534 H95  AUA 99  
AUA H971 1H97 H 0 0 N N N 33.269 9.194  16.439 0.626   -5.944 1.720  H971 AUA 100 
AUA H972 2H97 H 0 0 N N N 31.824 10.079 17.188 0.052   -4.262 1.620  H972 AUA 101 
AUA H973 3H97 H 0 0 N N N 32.573 8.502  17.808 -1.114  -5.606 1.554  H973 AUA 102 
AUA H981 1H98 H 0 0 N N N 30.421 8.598  13.983 -0.216  -6.761 -1.841 H981 AUA 103 
AUA H982 2H98 H 0 0 N N N 30.598 10.134 15.006 0.372   -7.450 -0.309 H982 AUA 104 
AUA H983 3H98 H 0 0 N N N 31.966 9.251  14.120 -1.337  -6.980 -0.476 H983 AUA 105 
AUA H991 1H99 H 0 0 N N N 23.359 7.192  15.741 -5.317  2.933  -4.314 H991 AUA 106 
AUA H992 2H99 H 0 0 N N N 21.762 6.190  15.491 -5.249  4.047  -2.927 H992 AUA 107 
AUA H993 3H99 H 0 0 N N N 22.645 6.678  17.103 -4.441  4.476  -4.454 H993 AUA 108 
# 
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 
AUA S1  C2   SING N N 1   
AUA S1  C99  SING N N 2   
AUA C2  C5   SING N N 3   
AUA C2  H21  SING N N 4   
AUA C2  H22  SING N N 5   
AUA C5  C8   SING N N 6   
AUA C5  H51  SING N N 7   
AUA C5  H52  SING N N 8   
AUA C8  N10  SING N N 9   
AUA C8  C37  SING N N 10  
AUA C8  H8   SING N N 11  
AUA N10 C12  SING N N 12  
AUA N10 H10  SING N N 13  
AUA C12 O13  DOUB N N 14  
AUA C12 C14  SING N N 15  
AUA C14 N16  SING N N 16  
AUA C14 C24  SING N N 17  
AUA C14 H14  SING N N 18  
AUA N16 C18  SING N N 19  
AUA N16 H16  SING N N 20  
AUA C18 O19  DOUB N N 21  
AUA C18 C20  SING N N 22  
AUA C20 H201 SING N N 23  
AUA C20 H202 SING N N 24  
AUA C20 H203 SING N N 25  
AUA C24 C27  SING N N 26  
AUA C24 H241 SING N N 27  
AUA C24 H242 SING N N 28  
AUA C27 C29  SING N N 29  
AUA C27 C33  SING N N 30  
AUA C27 H27  SING N N 31  
AUA C29 H291 SING N N 32  
AUA C29 H292 SING N N 33  
AUA C29 H293 SING N N 34  
AUA C33 H331 SING N N 35  
AUA C33 H332 SING N N 36  
AUA C33 H333 SING N N 37  
AUA C37 O38  DOUB N N 38  
AUA C37 N39  SING N N 39  
AUA N39 C41  SING N N 40  
AUA N39 H39  SING N N 41  
AUA C41 C43  SING N N 42  
AUA C41 C92  SING N N 43  
AUA C41 H41  SING N N 44  
AUA C43 O45  SING N N 45  
AUA C43 C47  SING N N 46  
AUA C43 H43  SING N N 47  
AUA O45 H45  SING N N 48  
AUA C47 C49  SING N N 49  
AUA C47 C55  SING N N 50  
AUA C47 H47  SING N N 51  
AUA C49 C51  SING N N 52  
AUA C49 C59  SING N N 53  
AUA C49 H49  SING N N 54  
AUA C51 C54  SING N N 55  
AUA C51 H511 SING N N 56  
AUA C51 H512 SING N N 57  
AUA C54 C55  SING N N 58  
AUA C54 O58  DOUB N N 59  
AUA C55 H551 SING N N 60  
AUA C55 H552 SING N N 61  
AUA C59 O60  DOUB N N 62  
AUA C59 N61  SING N N 63  
AUA N61 C63  SING N N 64  
AUA N61 H61  SING N N 65  
AUA C63 C65  SING N N 66  
AUA C63 C75  SING N N 67  
AUA C63 H63  SING N N 68  
AUA C65 C67  SING N N 69  
AUA C65 C71  SING N N 70  
AUA C65 H65  SING N N 71  
AUA C67 H671 SING N N 72  
AUA C67 H672 SING N N 73  
AUA C67 H673 SING N N 74  
AUA C71 H711 SING N N 75  
AUA C71 H712 SING N N 76  
AUA C71 H713 SING N N 77  
AUA C75 O76  DOUB N N 78  
AUA C75 N77  SING N N 79  
AUA N77 C79  SING N N 80  
AUA N77 H77  SING N N 81  
AUA C79 C82  SING N N 82  
AUA C79 H791 SING N N 83  
AUA C79 H792 SING N N 84  
AUA C82 C85  SING N N 85  
AUA C82 H821 SING N N 86  
AUA C82 H822 SING N N 87  
AUA C85 C88  SING N N 88  
AUA C85 H851 SING N N 89  
AUA C85 H852 SING N N 90  
AUA C88 H881 SING N N 91  
AUA C88 H882 SING N N 92  
AUA C88 H883 SING N N 93  
AUA C92 C95  SING N N 94  
AUA C92 H921 SING N N 95  
AUA C92 H922 SING N N 96  
AUA C95 C97  SING N N 97  
AUA C95 C98  SING N N 98  
AUA C95 H95  SING N N 99  
AUA C97 H971 SING N N 100 
AUA C97 H972 SING N N 101 
AUA C97 H973 SING N N 102 
AUA C98 H981 SING N N 103 
AUA C98 H982 SING N N 104 
AUA C98 H983 SING N N 105 
AUA C99 H991 SING N N 106 
AUA C99 H992 SING N N 107 
AUA C99 H993 SING N N 108 
# 
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 
AUA SMILES           ACDLabs              10.04 O=C(NC(C(=O)NCCCC)C(C)C)C1CC(=O)CC1C(O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CCSC)CC(C)C 
AUA InChI            InChI                1.02b 
;InChI=1/C34H61N5O7S/c1-10-11-13-35-34(46)29(21(6)7)39-31(43)25-18-23(41)17-24(25)30(42)27(15-19(2)3)38-32(44)26(12-14-47-9)37-33(45)28(16-20(4)5)36-22(8)40/h19-21,24-30,42H,10-18H2,1-9H3,(H,35,46)(H,36,40)(H,37,45)(H,38,44)(H,39,43)/t24-,25-,26+,27+,28+,29+,30+/m1/s1/f/h35-39H
;
AUA InChIKey         InChI                1.02b YFDLSIPCLMLOKZ-ARRNXAJSDI 
AUA SMILES_CANONICAL CACTVS               3.341 CCCCNC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)C[C@H]1[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C 
AUA SMILES           CACTVS               3.341 CCCCNC(=O)[CH](NC(=O)[CH]1CC(=O)C[CH]1[CH](O)[CH](CC(C)C)NC(=O)[CH](CCSC)NC(=O)[CH](CC(C)C)NC(C)=O)C(C)C 
AUA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC(=O)C[C@H]1[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)C)O 
AUA SMILES           "OpenEye OEToolkits" 1.5.0 CCCCNC(=O)C(C(C)C)NC(=O)C1CC(=O)CC1C(C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C)O 
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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 
AUA "SYSTEMATIC NAME" ACDLabs              10.04 N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}-4-oxocyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide 
AUA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
(1R,2R)-2-[(1S,2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-hydroxy-4-methyl-pentyl]-N-[(2S)-1-butylamino-3-methyl-1-oxo-butan-2-yl]-4-oxo-cyclopentane-1-carboxamide 
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