data_BID
# 
_chem_comp.id                                    BID 
_chem_comp.name                                  "BISTRAMIDE A" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H68 N2 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
(2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]UNDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BUTANAMIDE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-02-09 
_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                        704.977 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     BID 
_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        2FXU 
_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 
BID O5   O5   O 0 1 N N N 14.206 -12.903 37.106 0.758  -0.265 -2.620 O5   BID 1   
BID C18  C18  C 0 1 N N N 14.145 -13.613 36.117 0.537  -0.042 -1.449 C18  BID 2   
BID C16  C16  C 0 1 N N S 14.910 -13.210 34.888 1.637  -0.200 -0.431 C16  BID 3   
BID C17  C17  C 0 1 N N N 14.289 -11.909 34.328 1.228  -1.251 0.603  C17  BID 4   
BID C15  C15  C 0 1 N N R 16.420 -13.111 35.142 2.921  -0.646 -1.133 C15  BID 5   
BID O4   O4   O 0 1 N N N 16.702 -11.969 35.946 3.303  0.335  -2.098 O4   BID 6   
BID C14  C14  C 0 1 N N N 16.936 -14.407 35.785 4.038  -0.807 -0.099 C14  BID 7   
BID N1   N1   N 0 1 N N N 18.390 -14.398 35.946 5.267  -1.234 -0.771 N1   BID 8   
BID C13  C13  C 0 1 N N N 19.253 -14.895 35.072 6.390  -1.440 -0.054 C13  BID 9   
BID O3   O3   O 0 1 N N N 18.850 -15.355 34.004 6.382  -1.271 1.147  O3   BID 10  
BID C12  C12  C 0 1 N N N 20.727 -14.818 35.396 7.655  -1.880 -0.745 C12  BID 11  
BID C11  C11  C 0 1 N N S 21.376 -16.195 35.376 8.771  -2.041 0.288  C11  BID 12  
BID C9   C9   C 0 1 N N S 22.871 -16.135 35.689 10.042 -2.535 -0.407 C9   BID 13  
BID C10  C10  C 0 1 N N N 23.606 -15.171 34.782 9.778  -3.897 -1.052 C10  BID 14  
BID C8   C8   C 0 1 N N N 23.122 -15.801 37.153 10.444 -1.525 -1.489 C8   BID 15  
BID C7   C7   C 0 1 N N N 22.406 -16.797 38.037 10.549 -0.136 -0.848 C7   BID 16  
BID O2   O2   O 0 1 N N N 20.706 -17.056 36.309 9.023  -0.783 0.914  O2   BID 17  
BID C6   C6   C 0 1 N N R 20.919 -16.869 37.713 9.240  0.176  -0.119 C6   BID 18  
BID C5   C5   C 0 1 N N N 20.328 -18.063 38.459 9.322  1.575  0.495  C5   BID 19  
BID C4   C4   C 0 1 N N N 18.843 -17.910 38.718 7.991  1.935  1.105  C4   BID 20  
BID O1   O1   O 0 1 N N N 18.351 -16.798 38.761 7.068  1.149  1.053  O1   BID 21  
BID C3   C3   C 0 1 N N N 17.956 -19.077 38.935 7.813  3.231  1.759  C3   BID 22  
BID C2   C2   C 0 1 N N N 18.394 -20.338 38.917 6.635  3.549  2.299  C2   BID 23  
BID C1   C1   C 0 1 N N N 17.429 -21.479 39.143 6.451  4.885  2.973  C1   BID 24  
BID N2   N2   N 0 1 N N N 13.446 -14.733 36.067 -0.693 0.347  -1.058 N2   BID 25  
BID C19  C19  C 0 1 N N N 12.648 -15.254 37.170 -1.762 0.500  -2.048 C19  BID 26  
BID C20  C20  C 0 1 N N N 11.582 -16.168 36.589 -3.046 0.947  -1.346 C20  BID 27  
BID C21  C21  C 0 1 N N N 10.596 -16.639 37.657 -4.163 1.107  -2.380 C21  BID 28  
BID C22  C22  C 0 1 N N R 9.528  -17.507 37.023 -5.447 1.554  -1.678 C22  BID 29  
BID C23  C23  C 0 1 N N S 8.439  -17.969 37.993 -6.594 1.590  -2.691 C23  BID 30  
BID C24  C24  C 0 1 N N N 7.667  -16.786 38.583 -6.776 0.202  -3.307 C24  BID 31  
BID C25  C25  C 0 1 N N N 7.549  -18.977 37.271 -7.882 2.006  -1.971 C25  BID 32  
BID C26  C26  C 0 1 N N N 8.376  -20.114 36.674 -7.625 3.322  -1.229 C26  BID 33  
BID C27  C27  C 0 1 N N S 9.471  -19.569 35.758 -6.401 3.154  -0.325 C27  BID 34  
BID O6   O6   O 0 1 N N N 10.218 -18.653 36.548 -5.255 2.853  -1.120 O6   BID 35  
BID C28  C28  C 0 1 N N N 10.453 -20.651 35.320 -6.159 4.455  0.445  C28  BID 36  
BID C29  C29  C 0 1 N N N 11.497 -20.119 34.343 -4.913 4.291  1.323  C29  BID 37  
BID C30  C30  C 0 1 N N N 10.776 -19.476 33.166 -5.089 3.043  2.195  C30  BID 38  
BID C31  C31  C 0 1 N N S 9.860  -18.389 33.699 -5.416 1.848  1.296  C31  BID 39  
BID O7   O7   O 0 1 N N N 8.885  -18.971 34.597 -6.635 2.089  0.597  O7   BID 40  
BID C32  C32  C 0 1 N N N 9.110  -17.736 32.569 -5.563 0.590  2.154  C32  BID 41  
BID C33  C33  C 0 1 N N N 8.355  -16.485 33.012 -5.766 -0.625 1.247  C33  BID 42  
BID C34  C34  C 0 1 N N S 7.717  -15.712 31.847 -5.913 -1.883 2.105  C34  BID 43  
BID C35  C35  C 0 1 N N N 7.138  -14.360 32.275 -4.603 -2.148 2.851  C35  BID 44  
BID C36  C36  C 0 1 N N N 6.624  -16.556 31.222 -6.235 -3.060 1.221  C36  BID 45  
BID C37  C37  C 0 1 N N N 6.648  -17.036 29.961 -7.420 -3.616 1.275  C37  BID 46  
BID C38  C38  C 0 1 N N N 7.760  -16.764 28.973 -8.514 -2.978 2.092  C38  BID 47  
BID C39  C39  C 0 1 N N S 5.500  -17.872 29.454 -7.689 -4.892 0.521  C39  BID 48  
BID C40  C40  C 0 1 N N N 5.974  -19.301 29.220 -8.727 -4.630 -0.572 C40  BID 49  
BID O8   O8   O 0 1 N N N 5.018  -17.311 28.227 -8.186 -5.883 1.423  O8   BID 50  
BID H16  H16  H 0 1 N N N 14.820 -13.995 34.123 1.809  0.754  0.069  H16  BID 51  
BID H171 1H17 H 0 0 N N N 13.319 -12.137 33.862 1.056  -2.204 0.103  H171 BID 52  
BID H172 2H17 H 0 0 N N N 14.964 -11.474 33.576 2.024  -1.365 1.339  H172 BID 53  
BID H173 3H17 H 0 0 N N N 14.142 -11.190 35.147 0.313  -0.933 1.103  H173 BID 54  
BID H15  H15  H 0 1 N N N 16.947 -12.986 34.185 2.749  -1.600 -1.632 H15  BID 55  
BID HO4  HO4  H 0 1 N N N 16.765 -12.230 36.857 3.445  1.161  -1.616 HO4  BID 56  
BID H141 1H14 H 0 0 N N N 16.671 -15.245 35.123 3.746  -1.556 0.637  H141 BID 57  
BID H142 2H14 H 0 0 N N N 16.473 -14.516 36.777 4.210  0.147  0.401  H142 BID 58  
BID HN1  HN1  H 0 1 N N N 18.760 -13.986 36.778 5.273  -1.370 -1.731 HN1  BID 59  
BID H121 1H12 H 0 0 N N N 20.838 -14.398 36.407 7.946  -1.131 -1.482 H121 BID 60  
BID H122 2H12 H 0 0 N N N 21.222 -14.182 34.647 7.483  -2.834 -1.245 H122 BID 61  
BID H11  H11  H 0 1 N N N 21.276 -16.599 34.358 8.466  -2.766 1.043  H11  BID 62  
BID H9   H9   H 0 1 N N N 23.274 -17.140 35.495 10.846 -2.626 0.323  H9   BID 63  
BID H101 1H10 H 0 0 N N N 22.998 -14.975 33.886 10.682 -4.243 -1.553 H101 BID 64  
BID H102 2H10 H 0 0 N N N 24.569 -15.611 34.484 9.492  -4.614 -0.282 H102 BID 65  
BID H103 3H10 H 0 0 N N N 23.784 -14.227 35.317 8.972  -3.805 -1.780 H103 BID 66  
BID H81  1H8  H 0 1 N N N 22.743 -14.790 37.365 9.688  -1.510 -2.274 H81  BID 67  
BID H82  2H8  H 0 1 N N N 24.202 -15.844 37.356 11.408 -1.807 -1.911 H82  BID 68  
BID H71  1H7  H 0 1 N N N 22.516 -16.472 39.082 10.722 0.610  -1.623 H71  BID 69  
BID H72  2H7  H 0 1 N N N 22.850 -17.791 37.882 11.374 -0.124 -0.137 H72  BID 70  
BID H6   H6   H 0 1 N N N 20.440 -15.927 38.017 8.413  0.140  -0.828 H6   BID 71  
BID H51  1H5  H 0 1 N N N 20.833 -18.133 39.434 9.574  2.298  -0.280 H51  BID 72  
BID H52  2H5  H 0 1 N N N 20.484 -18.966 37.850 10.091 1.588  1.268  H52  BID 73  
BID H3   H3   H 0 1 N N N 16.906 -18.899 39.116 8.635  3.930  1.805  H3   BID 74  
BID H2   H2   H 0 1 N N N 19.440 -20.543 38.741 5.813  2.850  2.252  H2   BID 75  
BID H11A 1H1  H 0 0 N N N 16.504 -21.092 39.595 7.153  4.973  3.802  H11A BID 76  
BID H12  2H1  H 0 1 N N N 17.886 -22.217 39.818 6.636  5.683  2.254  H12  BID 77  
BID H13  3H1  H 0 1 N N N 17.195 -21.958 38.181 5.431  4.964  3.350  H13  BID 78  
BID HN2  HN2  H 0 1 N N N 13.466 -15.258 35.216 -0.870 0.525  -0.121 HN2  BID 79  
BID H191 1H19 H 0 0 N N N 12.180 -14.428 37.725 -1.471 1.249  -2.784 H191 BID 80  
BID H192 2H19 H 0 0 N N N 13.289 -15.818 37.863 -1.934 -0.453 -2.547 H192 BID 81  
BID H201 1H20 H 0 0 N N N 12.081 -17.053 36.168 -3.337 0.198  -0.610 H201 BID 82  
BID H202 2H20 H 0 0 N N N 11.028 -15.616 35.815 -2.874 1.901  -0.846 H202 BID 83  
BID H211 1H21 H 0 0 N N N 10.122 -15.764 38.125 -3.872 1.856  -3.116 H211 BID 84  
BID H212 2H21 H 0 0 N N N 11.135 -17.222 38.419 -4.335 0.154  -2.879 H212 BID 85  
BID H22  H22  H 0 1 N N N 9.009  -16.926 36.246 -5.689 0.850  -0.882 H22  BID 86  
BID H23  H23  H 0 1 N N N 8.891  -18.468 38.863 -6.366 2.311  -3.476 H23  BID 87  
BID H241 1H24 H 0 0 N N N 6.706  -16.677 38.058 -7.599 0.227  -4.022 H241 BID 88  
BID H242 2H24 H 0 0 N N N 8.258  -15.866 38.462 -5.860 -0.092 -3.818 H242 BID 89  
BID H243 3H24 H 0 0 N N N 7.482  -16.965 39.652 -7.000 -0.518 -2.520 H243 BID 90  
BID H251 1H25 H 0 0 N N N 7.025  -18.459 36.454 -8.168 1.233  -1.257 H251 BID 91  
BID H252 2H25 H 0 0 N N N 6.831  -19.398 37.990 -8.679 2.147  -2.701 H252 BID 92  
BID H261 1H26 H 0 0 N N N 7.711  -20.760 36.082 -8.495 3.575  -0.622 H261 BID 93  
BID H262 2H26 H 0 0 N N N 8.843  -20.684 37.491 -7.439 4.117  -1.951 H262 BID 94  
BID H281 1H28 H 0 0 N N N 9.882  -21.441 34.810 -6.003 5.272  -0.260 H281 BID 95  
BID H282 2H28 H 0 0 N N N 10.971 -21.036 36.211 -7.022 4.674  1.073  H282 BID 96  
BID H291 1H29 H 0 0 N N N 12.134 -20.943 33.989 -4.033 4.174  0.691  H291 BID 97  
BID H292 2H29 H 0 0 N N N 12.130 -19.372 34.845 -4.795 5.168  1.959  H292 BID 98  
BID H301 1H30 H 0 0 N N N 10.188 -20.232 32.625 -4.167 2.846  2.741  H301 BID 99  
BID H302 2H30 H 0 0 N N N 11.510 -19.038 32.473 -5.905 3.202  2.900  H302 BID 100 
BID H31  H31  H 0 1 N N N 10.478 -17.645 34.223 -4.609 1.704  0.577  H31  BID 101 
BID H321 1H32 H 0 0 N N N 8.370  -18.459 32.195 -4.662 0.451  2.752  H321 BID 102 
BID H322 2H32 H 0 0 N N N 9.833  -17.449 31.791 -6.424 0.699  2.814  H322 BID 103 
BID H331 1H33 H 0 0 N N N 9.085  -15.814 33.488 -6.666 -0.486 0.649  H331 BID 104 
BID H332 2H33 H 0 0 N N N 7.553  -16.793 33.699 -4.905 -0.734 0.587  H332 BID 105 
BID H34  H34  H 0 1 N N N 8.514  -15.505 31.118 -6.718 -1.739 2.826  H34  BID 106 
BID H351 1H35 H 0 0 N N N 6.168  -14.204 31.781 -4.370 -1.297 3.490  H351 BID 107 
BID H352 2H35 H 0 0 N N N 7.831  -13.556 31.985 -4.708 -3.044 3.462  H352 BID 108 
BID H353 3H35 H 0 0 N N N 6.999  -14.349 33.366 -3.798 -2.292 2.130  H353 BID 109 
BID H36  H36  H 0 1 N N N 5.763  -16.790 31.830 -5.488 -3.445 0.542  H36  BID 110 
BID H381 1H38 H 0 0 N N N 8.495  -17.582 29.014 -8.172 -2.015 2.469  H381 BID 111 
BID H382 2H38 H 0 0 N N N 8.253  -15.815 29.229 -9.395 -2.831 1.467  H382 BID 112 
BID H383 3H38 H 0 0 N N N 7.341  -16.698 27.958 -8.767 -3.627 2.930  H383 BID 113 
BID H39  H39  H 0 1 N N N 4.689  -17.881 30.197 -6.764 -5.247 0.065  H39  BID 114 
BID H401 1H40 H 0 0 N N N 5.234  -20.004 29.630 -8.348 -3.874 -1.260 H401 BID 115 
BID H402 2H40 H 0 0 N N N 6.942  -19.453 29.721 -8.922 -5.553 -1.117 H402 BID 116 
BID H403 3H40 H 0 0 N N N 6.088  -19.478 28.140 -9.652 -4.275 -0.117 H403 BID 117 
BID HO8  HO8  H 0 1 N N N 4.911  -16.372 28.328 -9.002 -5.530 1.803  HO8  BID 118 
# 
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 
BID O5  C18  DOUB N N 1   
BID C18 C16  SING N N 2   
BID C18 N2   SING N N 3   
BID C16 C17  SING N N 4   
BID C16 C15  SING N N 5   
BID C16 H16  SING N N 6   
BID C17 H171 SING N N 7   
BID C17 H172 SING N N 8   
BID C17 H173 SING N N 9   
BID C15 O4   SING N N 10  
BID C15 C14  SING N N 11  
BID C15 H15  SING N N 12  
BID O4  HO4  SING N N 13  
BID C14 N1   SING N N 14  
BID C14 H141 SING N N 15  
BID C14 H142 SING N N 16  
BID N1  C13  SING N N 17  
BID N1  HN1  SING N N 18  
BID C13 O3   DOUB N N 19  
BID C13 C12  SING N N 20  
BID C12 C11  SING N N 21  
BID C12 H121 SING N N 22  
BID C12 H122 SING N N 23  
BID C11 C9   SING N N 24  
BID C11 O2   SING N N 25  
BID C11 H11  SING N N 26  
BID C9  C10  SING N N 27  
BID C9  C8   SING N N 28  
BID C9  H9   SING N N 29  
BID C10 H101 SING N N 30  
BID C10 H102 SING N N 31  
BID C10 H103 SING N N 32  
BID C8  C7   SING N N 33  
BID C8  H81  SING N N 34  
BID C8  H82  SING N N 35  
BID C7  C6   SING N N 36  
BID C7  H71  SING N N 37  
BID C7  H72  SING N N 38  
BID O2  C6   SING N N 39  
BID C6  C5   SING N N 40  
BID C6  H6   SING N N 41  
BID C5  C4   SING N N 42  
BID C5  H51  SING N N 43  
BID C5  H52  SING N N 44  
BID C4  O1   DOUB N N 45  
BID C4  C3   SING N N 46  
BID C3  C2   DOUB N E 47  
BID C3  H3   SING N N 48  
BID C2  C1   SING N N 49  
BID C2  H2   SING N N 50  
BID C1  H11A SING N N 51  
BID C1  H12  SING N N 52  
BID C1  H13  SING N N 53  
BID N2  C19  SING N N 54  
BID N2  HN2  SING N N 55  
BID C19 C20  SING N N 56  
BID C19 H191 SING N N 57  
BID C19 H192 SING N N 58  
BID C20 C21  SING N N 59  
BID C20 H201 SING N N 60  
BID C20 H202 SING N N 61  
BID C21 C22  SING N N 62  
BID C21 H211 SING N N 63  
BID C21 H212 SING N N 64  
BID C22 C23  SING N N 65  
BID C22 O6   SING N N 66  
BID C22 H22  SING N N 67  
BID C23 C24  SING N N 68  
BID C23 C25  SING N N 69  
BID C23 H23  SING N N 70  
BID C24 H241 SING N N 71  
BID C24 H242 SING N N 72  
BID C24 H243 SING N N 73  
BID C25 C26  SING N N 74  
BID C25 H251 SING N N 75  
BID C25 H252 SING N N 76  
BID C26 C27  SING N N 77  
BID C26 H261 SING N N 78  
BID C26 H262 SING N N 79  
BID C27 O6   SING N N 80  
BID C27 C28  SING N N 81  
BID C27 O7   SING N N 82  
BID C28 C29  SING N N 83  
BID C28 H281 SING N N 84  
BID C28 H282 SING N N 85  
BID C29 C30  SING N N 86  
BID C29 H291 SING N N 87  
BID C29 H292 SING N N 88  
BID C30 C31  SING N N 89  
BID C30 H301 SING N N 90  
BID C30 H302 SING N N 91  
BID C31 O7   SING N N 92  
BID C31 C32  SING N N 93  
BID C31 H31  SING N N 94  
BID C32 C33  SING N N 95  
BID C32 H321 SING N N 96  
BID C32 H322 SING N N 97  
BID C33 C34  SING N N 98  
BID C33 H331 SING N N 99  
BID C33 H332 SING N N 100 
BID C34 C35  SING N N 101 
BID C34 C36  SING N N 102 
BID C34 H34  SING N N 103 
BID C35 H351 SING N N 104 
BID C35 H352 SING N N 105 
BID C35 H353 SING N N 106 
BID C36 C37  DOUB N E 107 
BID C36 H36  SING N N 108 
BID C37 C38  SING N N 109 
BID C37 C39  SING N N 110 
BID C38 H381 SING N N 111 
BID C38 H382 SING N N 112 
BID C38 H383 SING N N 113 
BID C39 C40  SING N N 114 
BID C39 O8   SING N N 115 
BID C39 H39  SING N N 116 
BID C40 H401 SING N N 117 
BID C40 H402 SING N N 118 
BID C40 H403 SING N N 119 
BID O8  HO8  SING N N 120 
# 
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 
BID SMILES           ACDLabs              10.04 O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C(=O)NCCCC3OC2(OC(CCC2)CCC(\C=C(/C)C(O)C)C)CCC3C)C 
BID InChI            InChI                1.02b 
;InChI=1/C40H68N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1/f/h41-42H
;
BID InChIKey         InChI                1.02b HXZRMADPDYFMEB-SYOWGBRQDN 
BID SMILES_CANONICAL CACTVS               3.341 C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)\C=C(/C)[C@H](C)O)O3)CC[C@@H]2C)O1 
BID SMILES           CACTVS               3.341 CC=CC(=O)C[CH]1CC[CH](C)[CH](CC(=O)NC[CH](O)[CH](C)C(=O)NCCC[CH]2O[C]3(CCC[CH](CC[CH](C)C=C(C)[CH](C)O)O3)CC[CH]2C)O1 
BID SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C\C=C\C(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)\C=C(/C)\[C@H](C)O)C)O)C 
BID SMILES           "OpenEye OEToolkits" 1.5.0 CC=CC(=O)CC1CCC(C(O1)CC(=O)NCC(C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)C=C(C)C(C)O)C)O)C 
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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 
BID "SYSTEMATIC NAME" ACDLabs              10.04 
(2S,3R)-3-hydroxy-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethylhept-4-en-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}propyl)-2-methyl-4-[({(2S,3S,6R)-3-methyl-6-[(3E)-2-oxopent-3-en-1-yl]tetrahydro-2H-pyran-2-yl}acetyl)amino]butanamide 
BID "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
(2S,3R)-3-hydroxy-N-[3-[(3S,4R,6S,10S)-10-[(E,3S,6S)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-3-methyl-5,11-dioxaspiro[5.5]undecan-4-yl]propyl]-2-methyl-4-[2-[(2S,3S,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]ethanoylamino]butanamide                
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