data_BN6
# 
_chem_comp.id                                    BN6 
_chem_comp.name                                  "(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H52 N6 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-01-02 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        700.822 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     BN6 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "OpenEye/OEToolkits V1.4.2" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2F9V 
_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 
BN6 C1   C1   C 0 1 N N N 191.185 -10.746 48.626 4.950  -1.645  -3.327  C1   BN6 1   
BN6 O2   O2   O 0 1 N N N 191.847 -11.603 49.230 5.963  -2.335  -3.364  O2   BN6 2   
BN6 O3   O3   O 0 1 N N N 189.779 -10.702 48.518 4.894  -0.330  -3.693  O3   BN6 3   
BN6 C4   C4   C 0 1 N N N 188.865 -11.470 49.369 6.125  0.246   -4.146  C4   BN6 4   
BN6 C5   C5   C 0 1 N N N 188.108 -10.742 50.492 5.908  1.715   -4.519  C5   BN6 5   
BN6 C6   C6   C 0 1 N N N 187.697 -9.336  50.117 5.430  2.531   -3.316  C6   BN6 6   
BN6 C7   C7   C 0 1 N N N 188.867 -10.766 51.805 7.190  2.314   -5.091  C7   BN6 7   
BN6 N8   N8   N 0 1 N N N 191.756 -9.750  47.944 3.701  -2.071  -2.914  N8   BN6 8   
BN6 C9   C9   C 0 1 N N S 193.201 -9.548  47.914 3.418  -3.408  -2.463  C9   BN6 9   
BN6 C10  C10  C 0 1 N N N 193.582 -8.633  46.729 2.281  -3.421  -1.443  C10  BN6 10  
BN6 C11  C11  C 0 1 N N N 195.074 -8.276  46.753 1.968  -4.857  -0.999  C11  BN6 11  
BN6 C12  C12  C 0 1 N N N 193.291 -9.333  45.395 2.625  -2.538  -0.236  C12  BN6 12  
BN6 C13  C13  C 0 1 N N N 195.505 -7.427  45.550 0.870  -4.892  0.061   C13  BN6 13  
BN6 C14  C14  C 0 1 N N N 193.693 -8.514  44.167 1.525  -2.577  0.822   C14  BN6 14  
BN6 C15  C15  C 0 1 N N N 195.169 -8.134  44.229 1.211  -4.006  1.255   C15  BN6 15  
BN6 C16  C16  C 0 1 N N N 193.544 -8.859  49.231 3.066  -4.250  -3.681  C16  BN6 16  
BN6 O17  O17  O 0 1 N N N 193.075 -7.741  49.475 2.078  -4.039  -4.381  O17  BN6 17  
BN6 N18  N18  N 0 1 N N N 194.311 -9.539  50.086 4.014  -5.233  -3.920  N18  BN6 18  
BN6 C20  C20  C 0 1 N N N 195.656 -7.854  50.968 4.437  -5.730  -6.251  C20  BN6 19  
BN6 O21  O21  O 0 1 N N N 196.597 -8.029  50.185 4.402  -6.479  -7.230  O21  BN6 20  
BN6 C22  C22  C 0 1 N N N 194.686 -9.471  52.560 3.194  -7.306  -4.722  C22  BN6 21  
BN6 C23  C23  C 0 1 N N N 194.025 -10.845 52.497 4.147  -8.337  -4.220  C23  BN6 22  
BN6 C24  C24  C 0 1 N N N 192.629 -10.968 53.093 3.623  -9.690  -3.851  C24  BN6 23  
BN6 C25  C25  C 0 1 N N N 193.834 -11.608 53.814 4.460  -9.518  -5.084  C25  BN6 24  
BN6 N26  N26  N 0 1 N N N 195.459 -6.708  51.616 5.039  -4.476  -6.280  N26  BN6 25  
BN6 C27  C27  C 0 1 N N S 196.080 -5.467  51.163 5.677  -3.943  -7.460  C27  BN6 26  
BN6 C28  C28  C 0 1 N N N 195.032 -4.531  50.537 4.925  -2.679  -7.911  C28  BN6 27  
BN6 C29  C29  C 0 1 N N N 195.098 -4.714  49.025 3.459  -2.906  -8.121  C29  BN6 28  
BN6 C30  C30  C 0 1 N N N 194.474 -3.674  48.097 2.608  -1.755  -8.545  C30  BN6 29  
BN6 C31  C31  C 0 1 N N N 193.764 -5.015  48.336 2.493  -2.305  -7.154  C31  BN6 30  
BN6 O32  O32  O 0 1 N N N 197.599 -5.753  53.068 7.358  -2.667  -6.239  O32  BN6 31  
BN6 C33  C33  C 0 1 N N R 196.843 -4.741  52.307 7.176  -3.702  -7.194  C33  BN6 32  
BN6 O34  O34  O 0 1 N N N 197.676 -2.817  51.088 7.976  -5.252  -5.517  O34  BN6 33  
BN6 C37  C37  C 0 1 N N N 200.780 -3.845  49.877 8.179  -8.092  -7.565  C37  BN6 34  
BN6 N40  N40  N 0 1 N N N 202.088 -3.670  49.705 8.829  -9.302  -7.361  N40  BN6 35  
BN6 C41  C41  C 0 1 N N S 202.729 -3.638  48.397 8.145  -10.575 -7.336  C41  BN6 36  
BN6 C42  C42  C 0 1 Y N N 202.482 -2.311  47.611 8.031  -11.188 -8.718  C42  BN6 37  
BN6 C43  C43  C 0 1 Y N N 202.564 -1.019  48.229 9.033  -10.953 -9.642  C43  BN6 38  
BN6 C44  C44  C 0 1 Y N N 202.188 -2.360  46.242 6.930  -11.967 -9.020  C44  BN6 39  
BN6 C45  C45  C 0 1 Y N N 202.376 0.172   47.510 8.929  -11.517 -10.913 C45  BN6 40  
BN6 C46  C46  C 0 1 Y N N 201.996 -1.162  45.515 6.826  -12.531 -10.291 C46  BN6 41  
BN6 C47  C47  C 0 1 Y N N 202.086 0.090   46.149 7.825  -12.306 -11.238 C47  BN6 42  
BN6 C48  C48  C 0 1 N N N 204.228 -3.873  48.618 8.875  -11.507 -6.385  C48  BN6 43  
BN6 O49  O49  O 0 1 N N N 204.771 -3.481  49.664 9.980  -10.923 -5.845  O49  BN6 44  
BN6 O50  O50  O 0 1 N N N 204.890 -4.452  47.758 8.532  -12.645 -6.095  O50  BN6 45  
BN6 N19  N19  N 0 1 N N N 194.774 -8.829  51.242 3.878  -6.063  -5.019  N19  BN6 46  
BN6 N35  N35  N 0 1 N N N 199.079 -4.529  51.464 8.432  -5.700  -7.748  N35  BN6 47  
BN6 C36  C36  C 0 1 N N N 200.340 -3.828  51.322 9.147  -6.937  -7.536  C36  BN6 48  
BN6 O38  O38  O 0 1 N N N 199.977 -4.003  48.944 6.972  -7.958  -7.745  O38  BN6 49  
BN6 C39  C39  C 0 1 N N N 197.901 -3.922  51.560 7.901  -4.955  -6.707  C39  BN6 50  
BN6 H41A 1H4  H 0 0 N N N 188.100 -11.894 48.702 6.466  -0.326  -5.015  H41A BN6 51  
BN6 H42  2H4  H 0 1 N N N 189.519 -12.179 49.898 6.869  0.146   -3.349  H42  BN6 52  
BN6 H5   H5   H 0 1 N N N 187.178 -11.311 50.637 5.122  1.768   -5.284  H5   BN6 53  
BN6 H61  1H6  H 0 1 N N N 187.597 -8.727  51.028 5.277  3.579   -3.595  H61  BN6 54  
BN6 H62  2H6  H 0 1 N N N 188.462 -8.893  49.462 6.162  2.502   -2.501  H62  BN6 55  
BN6 H63  3H6  H 0 1 N N N 186.733 -9.365  49.588 4.479  2.149   -2.930  H63  BN6 56  
BN6 H71  1H7  H 0 1 N N N 189.948 -10.772 51.604 7.034  3.356   -5.389  H71  BN6 57  
BN6 H72  2H7  H 0 1 N N N 188.609 -9.874  52.394 7.517  1.759   -5.977  H72  BN6 58  
BN6 H73  3H7  H 0 1 N N N 188.594 -11.670 52.369 8.003  2.290   -4.357  H73  BN6 59  
BN6 HN8  HN8  H 0 1 N N N 191.171 -9.119  47.435 2.937  -1.399  -2.930  HN8  BN6 60  
BN6 H9   H9   H 0 1 N N N 193.744 -10.497 47.792 4.338  -3.791  -2.007  H9   BN6 61  
BN6 H10  H10  H 0 1 N N N 192.980 -7.717  46.826 1.391  -3.008  -1.935  H10  BN6 62  
BN6 H111 1H11 H 0 0 N N N 195.654 -9.211  46.742 2.875  -5.327  -0.596  H111 BN6 63  
BN6 H112 2H11 H 0 0 N N N 195.258 -7.683  47.661 1.658  -5.455  -1.864  H112 BN6 64  
BN6 H121 1H12 H 0 0 N N N 192.209 -9.523  45.339 2.776  -1.503  -0.564  H121 BN6 65  
BN6 H122 2H12 H 0 0 N N N 193.890 -10.256 45.378 3.570  -2.871  0.211   H122 BN6 66  
BN6 H131 1H13 H 0 0 N N N 196.591 -7.261  45.600 0.717  -5.923  0.399   H131 BN6 67  
BN6 H132 2H13 H 0 0 N N N 194.964 -6.470  45.584 -0.076 -4.557  -0.383  H132 BN6 68  
BN6 H141 1H14 H 0 0 N N N 193.087 -7.596  44.134 0.617  -2.109  0.423   H141 BN6 69  
BN6 H142 2H14 H 0 0 N N N 193.522 -9.121  43.266 1.832  -1.987  1.694   H142 BN6 70  
BN6 H151 1H15 H 0 0 N N N 195.776 -9.048  44.150 0.374  -4.001  1.963   H151 BN6 71  
BN6 H152 2H15 H 0 0 N N N 195.388 -7.446  43.399 2.075  -4.425  1.785   H152 BN6 72  
BN6 HN18 HN18 H 0 0 N N N 194.551 -10.497 49.928 4.804  -5.343  -3.292  HN18 BN6 73  
BN6 H221 1H22 H 0 0 N N N 195.704 -9.592  52.958 2.427  -7.094  -3.972  H221 BN6 74  
BN6 H222 2H22 H 0 0 N N N 194.068 -8.830  53.206 2.705  -7.644  -5.641  H222 BN6 75  
BN6 H23  H23  H 0 1 N N N 194.482 -11.087 51.526 4.936  -7.905  -3.624  H23  BN6 76  
BN6 H241 1H24 H 0 0 N N N 191.918 -10.197 53.425 2.563  -9.870  -3.982  H241 BN6 77  
BN6 H242 2H24 H 0 0 N N N 191.645 -11.311 52.739 4.066  -10.211 -3.010  H242 BN6 78  
BN6 H251 1H25 H 0 0 N N N 194.046 -12.653 54.085 5.464  -9.924  -5.071  H251 BN6 79  
BN6 H252 2H25 H 0 0 N N N 194.268 -11.573 54.824 3.962  -9.583  -6.044  H252 BN6 80  
BN6 HN26 HN26 H 0 0 N N N 194.875 -6.697  52.428 5.030  -3.913  -5.435  HN26 BN6 81  
BN6 H27  H27  H 0 1 N N N 196.820 -5.738  50.395 5.562  -4.716  -8.229  H27  BN6 82  
BN6 H281 1H28 H 0 0 N N N 195.251 -3.486  50.802 5.351  -2.329  -8.861  H281 BN6 83  
BN6 H282 2H28 H 0 0 N N N 194.026 -4.772  50.912 5.070  -1.862  -7.194  H282 BN6 84  
BN6 H29  H29  H 0 1 N N N 196.098 -5.171  49.075 3.260  -3.884  -8.524  H29  BN6 85  
BN6 H301 1H30 H 0 0 N N N 194.853 -3.214  47.172 1.800  -1.961  -9.237  H301 BN6 86  
BN6 H302 2H30 H 0 0 N N N 194.202 -2.611  48.170 3.062  -0.779  -8.664  H302 BN6 87  
BN6 H311 1H31 H 0 0 N N N 192.771 -5.243  48.752 2.871  -1.698  -6.340  H311 BN6 88  
BN6 H312 2H31 H 0 0 N N N 193.361 -5.822  47.707 1.609  -2.881  -6.911  H312 BN6 89  
BN6 HO32 HO32 H 0 0 N N N 197.762 -6.509  52.516 6.536  -2.611  -5.724  HO32 BN6 90  
BN6 H33  H33  H 0 1 N N N 196.178 -4.164  52.967 7.675  -3.377  -8.113  H33  BN6 91  
BN6 HN40 HN40 H 0 0 N N N 202.661 -3.554  50.516 9.835  -9.292  -7.222  HN40 BN6 92  
BN6 H41  H41  H 0 1 N N N 202.286 -4.425  47.769 7.137  -10.420 -6.931  H41  BN6 93  
BN6 H43  H43  H 0 1 N N N 202.778 -0.960  49.286 9.896  -10.340 -9.398  H43  BN6 94  
BN6 H44  H44  H 0 1 N N N 202.108 -3.314  45.741 6.146  -12.147 -8.289  H44  BN6 95  
BN6 H45  H45  H 0 1 N N N 202.454 1.131   48.001 9.707  -11.342 -11.650 H45  BN6 96  
BN6 H46  H46  H 0 1 N N N 201.777 -1.209  44.458 5.967  -13.145 -10.544 H46  BN6 97  
BN6 H47  H47  H 0 1 N N N 201.930 0.993   45.578 7.744  -12.746 -12.228 H47  BN6 98  
BN6 HO49 HO49 H 0 0 N N N 205.694 -3.704  49.645 10.477 -11.480 -5.210  HO49 BN6 99  
BN6 HN35 HN35 H 0 0 N N N 199.097 -5.528  51.491 8.312  -5.364  -8.699  HN35 BN6 100 
BN6 H361 1H36 H 0 0 N N N 201.103 -4.323  51.940 9.648  -6.901  -6.564  H361 BN6 101 
BN6 H362 2H36 H 0 0 N N N 200.213 -2.785  51.649 9.895  -7.059  -8.325  H362 BN6 102 
# 
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 
BN6 C1  N8   SING N N 1   
BN6 C1  O3   SING N N 2   
BN6 C1  O2   DOUB N N 3   
BN6 O3  C4   SING N N 4   
BN6 C4  C5   SING N N 5   
BN6 C4  H41A SING N N 6   
BN6 C4  H42  SING N N 7   
BN6 C5  C6   SING N N 8   
BN6 C5  C7   SING N N 9   
BN6 C5  H5   SING N N 10  
BN6 C6  H61  SING N N 11  
BN6 C6  H62  SING N N 12  
BN6 C6  H63  SING N N 13  
BN6 C7  H71  SING N N 14  
BN6 C7  H72  SING N N 15  
BN6 C7  H73  SING N N 16  
BN6 N8  C9   SING N N 17  
BN6 N8  HN8  SING N N 18  
BN6 C9  C10  SING N N 19  
BN6 C9  C16  SING N N 20  
BN6 C9  H9   SING N N 21  
BN6 C10 C12  SING N N 22  
BN6 C10 C11  SING N N 23  
BN6 C10 H10  SING N N 24  
BN6 C11 C13  SING N N 25  
BN6 C11 H111 SING N N 26  
BN6 C11 H112 SING N N 27  
BN6 C12 C14  SING N N 28  
BN6 C12 H121 SING N N 29  
BN6 C12 H122 SING N N 30  
BN6 C13 C15  SING N N 31  
BN6 C13 H131 SING N N 32  
BN6 C13 H132 SING N N 33  
BN6 C14 C15  SING N N 34  
BN6 C14 H141 SING N N 35  
BN6 C14 H142 SING N N 36  
BN6 C15 H151 SING N N 37  
BN6 C15 H152 SING N N 38  
BN6 C16 O17  DOUB N N 39  
BN6 C16 N18  SING N N 40  
BN6 N18 N19  SING N N 41  
BN6 N18 HN18 SING N N 42  
BN6 C20 O21  DOUB N N 43  
BN6 C20 N19  SING N N 44  
BN6 C20 N26  SING N N 45  
BN6 C22 N19  SING N N 46  
BN6 C22 C23  SING N N 47  
BN6 C22 H221 SING N N 48  
BN6 C22 H222 SING N N 49  
BN6 C23 C24  SING N N 50  
BN6 C23 C25  SING N N 51  
BN6 C23 H23  SING N N 52  
BN6 C24 C25  SING N N 53  
BN6 C24 H241 SING N N 54  
BN6 C24 H242 SING N N 55  
BN6 C25 H251 SING N N 56  
BN6 C25 H252 SING N N 57  
BN6 N26 C27  SING N N 58  
BN6 N26 HN26 SING N N 59  
BN6 C27 C28  SING N N 60  
BN6 C27 C33  SING N N 61  
BN6 C27 H27  SING N N 62  
BN6 C28 C29  SING N N 63  
BN6 C28 H281 SING N N 64  
BN6 C28 H282 SING N N 65  
BN6 C29 C30  SING N N 66  
BN6 C29 C31  SING N N 67  
BN6 C29 H29  SING N N 68  
BN6 C30 C31  SING N N 69  
BN6 C30 H301 SING N N 70  
BN6 C30 H302 SING N N 71  
BN6 C31 H311 SING N N 72  
BN6 C31 H312 SING N N 73  
BN6 O32 C33  SING N N 74  
BN6 O32 HO32 SING N N 75  
BN6 C33 C39  SING N N 76  
BN6 C33 H33  SING N N 77  
BN6 O34 C39  DOUB N N 78  
BN6 C37 O38  DOUB N N 79  
BN6 C37 N40  SING N N 80  
BN6 C37 C36  SING N N 81  
BN6 N40 C41  SING N N 82  
BN6 N40 HN40 SING N N 83  
BN6 C41 C42  SING N N 84  
BN6 C41 C48  SING N N 85  
BN6 C41 H41  SING N N 86  
BN6 C42 C44  DOUB Y N 87  
BN6 C42 C43  SING Y N 88  
BN6 C43 C45  DOUB Y N 89  
BN6 C43 H43  SING N N 90  
BN6 C44 C46  SING Y N 91  
BN6 C44 H44  SING N N 92  
BN6 C45 C47  SING Y N 93  
BN6 C45 H45  SING N N 94  
BN6 C46 C47  DOUB Y N 95  
BN6 C46 H46  SING N N 96  
BN6 C47 H47  SING N N 97  
BN6 C48 O50  DOUB N N 98  
BN6 C48 O49  SING N N 99  
BN6 O49 HO49 SING N N 100 
BN6 N35 C36  SING N N 101 
BN6 N35 C39  SING N N 102 
BN6 N35 HN35 SING N N 103 
BN6 C36 H361 SING N N 104 
BN6 C36 H362 SING N N 105 
# 
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 
BN6 SMILES           ACDLabs              10.04 O=C(NC(C(O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C)C)C3CCCCC3)CC4CC4 
BN6 InChI            InChI                1.02b 
;InChI=1/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1/f/h36-40,46H
;
BN6 InChIKey         InChI                1.02b PLFWZBVXDUFZCY-JTLTVBHFDK 
BN6 SMILES_CANONICAL CACTVS               3.341 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@@H](O)C(=O)NCC(=O)N[C@H](C(O)=O)c4ccccc4 
BN6 SMILES           CACTVS               3.341 CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[CH](CC3CC3)[CH](O)C(=O)NCC(=O)N[CH](C(O)=O)c4ccccc4 
BN6 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)O)O 
BN6 SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)COC(=O)NC(C1CCCCC1)C(=O)NN(CC2CC2)C(=O)NC(CC3CC3)C(C(=O)NCC(=O)NC(c4ccccc4)C(=O)O)O 
# 
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 
BN6 "SYSTEMATIC NAME" ACDLabs              10.04 "(2S)-({N-[(2R,3S,9S)-9-cyclohexyl-3,6-bis(cyclopropylmethyl)-2-hydroxy-14-methyl-5,8,11-trioxo-12-oxa-4,6,7,10-tetraazapentadecan-1-oyl]glycyl}amino)(phenyl)ethanoic acid" 
BN6 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"(2S)-2-[2-[[(2R,3S)-3-[[[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino)ethanoyl]amino]-(cyclopropylmethyl)carbamoyl]amino]-4-cyclopropyl-2-hydroxy-butanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid" 
# 
