data_AXQ
# 
_chem_comp.id                                    AXQ 
_chem_comp.name                                  "{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H55 N5 O7 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-12-07 
_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                        673.928 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     AXQ 
_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        2F3E 
_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 
AXQ S1   S1   S 0 1 N N N 7.400  -43.048 50.450 0.724   -2.034 0.972  S1   AXQ 1   
AXQ C2   C2   C 0 1 N N N 8.589  -43.196 49.068 -0.405  -0.737 1.550  C2   AXQ 2   
AXQ C5   C5   C 0 1 N N R 9.875  -42.455 49.561 0.106   0.629  1.083  C5   AXQ 3   
AXQ N7   N7   N 0 1 N N N 9.624  -41.016 49.484 -0.964  1.328  0.365  N7   AXQ 4   
AXQ C9   C9   C 0 1 N N N 9.961  -40.201 50.526 -2.191  1.413  0.913  C9   AXQ 5   
AXQ C10  C10  C 0 1 N N S 9.687  -38.715 50.308 -3.303  2.105  0.169  C10  AXQ 6   
AXQ N12  N12  N 0 1 N N N 8.237  -38.532 50.238 -4.486  1.217  0.155  N12  AXQ 7   
AXQ C14  C14  C 0 1 N N N 7.718  -37.448 49.619 -4.348  0.052  -0.541 C14  AXQ 8   
AXQ C15  C15  C 0 1 N N R 6.222  -37.397 49.589 -5.507  -0.909 -0.594 C15  AXQ 9   
AXQ C17  C17  C 0 1 N N N 5.818  -38.398 48.509 -5.145  -2.094 -1.492 C17  AXQ 10  
AXQ S20  S20  S 0 1 N N N 4.066  -38.655 48.616 -5.067  -3.607 -0.494 S20  AXQ 11  
AXQ C21  C21  C 0 1 N N N 4.067  -40.251 47.730 -3.385  -4.159 -0.890 C21  AXQ 12  
AXQ C24  C24  C 0 1 N N N 4.388  -41.386 48.677 -2.483  -3.908 0.290  C24  AXQ 13  
AXQ C26  C26  C 0 1 N N N 5.569  -42.022 48.677 -1.195  -3.754 0.109  C26  AXQ 14  
AXQ C28  C28  C 0 1 N N N 5.799  -43.187 49.604 -0.293  -3.501 1.290  C28  AXQ 15  
AXQ N31  N31  N 0 1 N N N 5.756  -36.036 49.321 -6.684  -0.226 -1.138 N31  AXQ 16  
AXQ C33  C33  C 0 1 N N N 5.974  -35.091 50.272 -7.483  0.490  -0.323 C33  AXQ 17  
AXQ O34  O34  O 0 1 N N N 6.503  -35.330 51.353 -7.228  0.570  0.862  O34  AXQ 18  
AXQ O35  O35  O 0 1 N N N 5.546  -33.844 49.890 -8.564  1.118  -0.822 O35  AXQ 19  
AXQ C36  C36  C 0 1 N N N 5.813  -32.776 50.879 -9.426  1.890  0.055  C36  AXQ 20  
AXQ C37  C37  C 0 1 N N N 5.307  -31.431 50.306 -8.616  3.012  0.707  C37  AXQ 21  
AXQ C41  C41  C 0 1 N N N 5.068  -33.033 52.220 -10.572 2.495  -0.758 C41  AXQ 22  
AXQ C45  C45  C 0 1 N N N 7.339  -32.630 51.135 -9.998  0.976  1.141  C45  AXQ 23  
AXQ O49  O49  O 0 1 N N N 8.366  -36.549 49.101 -3.308  -0.205 -1.109 O49  AXQ 24  
AXQ C50  C50  C 0 1 N N N 10.323 -37.787 51.385 -3.656  3.419  0.869  C50  AXQ 25  
AXQ O54  O54  O 0 1 N N N 10.457 -40.601 51.572 -2.402  0.932  2.006  O54  AXQ 26  
AXQ C55  C55  C 0 1 N N S 11.157 -42.904 48.773 1.304   0.435  0.152  C55  AXQ 27  
AXQ O57  O57  O 0 1 N N N 11.016 -42.658 47.361 0.906   -0.338 -0.982 O57  AXQ 28  
AXQ C59  C59  C 0 1 N N N 12.427 -42.130 49.187 1.813   1.800  -0.315 C59  AXQ 29  
AXQ C62  C62  C 0 1 N N R 13.608 -43.061 48.866 3.093   1.615  -1.133 C62  AXQ 30  
AXQ C64  C64  C 0 1 N N N 14.916 -42.286 48.636 3.510   2.956  -1.738 C64  AXQ 31  
AXQ C68  C68  C 0 1 N N N 13.867 -43.929 50.084 4.192   1.104  -0.237 C68  AXQ 32  
AXQ O69  O69  O 0 1 N N N 13.644 -43.492 51.214 3.973   0.907  0.940  O69  AXQ 33  
AXQ N70  N70  N 0 1 N N N 14.332 -45.158 49.834 5.418   0.865  -0.743 N70  AXQ 34  
AXQ C72  C72  C 0 1 N N S 14.626 -46.033 50.975 6.486   0.369  0.127  C72  AXQ 35  
AXQ C74  C74  C 0 1 N N N 14.856 -47.489 50.539 6.393   -1.155 0.231  C74  AXQ 36  
AXQ C76  C76  C 0 1 N N N 16.155 -47.576 49.719 5.035   -1.544 0.817  C76  AXQ 37  
AXQ C80  C80  C 0 1 N N N 15.019 -48.408 51.771 6.543   -1.771 -1.162 C80  AXQ 38  
AXQ C84  C84  C 0 1 N N N 15.836 -45.471 51.718 7.824   0.752  -0.450 C84  AXQ 39  
AXQ O85  O85  O 0 1 N N N 16.699 -44.866 51.083 7.880   1.379  -1.488 O85  AXQ 40  
AXQ N86  N86  N 0 1 N N N 15.881 -45.661 53.055 8.959   0.399  0.185  N86  AXQ 41  
AXQ C88  C88  C 0 1 N N N 17.029 -45.129 53.779 10.259  0.772  -0.376 C88  AXQ 42  
AXQ C91  C91  C 0 1 N N N 16.643 -44.808 55.232 11.375  0.253  0.533  C91  AXQ 43  
AXQ C94  C94  C 0 1 N N N 15.948 -43.448 55.296 12.734  0.643  -0.054 C94  AXQ 44  
AXQ C97  C97  C 0 1 N N N 15.586 -43.149 56.762 13.849  0.124  0.856  C97  AXQ 45  
AXQ H21  1H2  H 0 1 N N N 8.195  -42.762 48.137 -0.452  -0.754 2.638  H21  AXQ 46  
AXQ H22  2H2  H 0 1 N N N 8.804  -44.251 48.844 -1.400  -0.912 1.140  H22  AXQ 47  
AXQ H5   H5   H 0 1 N N N 10.088 -42.724 50.606 0.409   1.218  1.948  H5   AXQ 48  
AXQ HN7  HN7  H 0 1 N N N 9.204  -40.627 48.664 -0.789  1.728  -0.501 HN7  AXQ 49  
AXQ H10  H10  H 0 1 N N N 10.169 -38.413 49.367 -2.988  2.309  -0.855 H10  AXQ 50  
AXQ H12  H12  H 0 1 N N N 7.628  -39.211 50.649 -5.309  1.448  0.614  H12  AXQ 51  
AXQ H15  H15  H 0 1 N N N 5.762  -37.663 50.552 -5.728  -1.269 0.411  H15  AXQ 52  
AXQ H171 1H17 H 0 0 N N N 6.350  -39.349 48.656 -4.176  -1.915 -1.957 H171 AXQ 53  
AXQ H172 2H17 H 0 0 N N N 6.078  -38.002 47.516 -5.904  -2.208 -2.266 H172 AXQ 54  
AXQ H211 1H21 H 0 0 N N N 4.833  -40.219 46.942 -3.016  -3.608 -1.754 H211 AXQ 55  
AXQ H212 2H21 H 0 0 N N N 3.073  -40.419 47.291 -3.397  -5.225 -1.118 H212 AXQ 56  
AXQ H24  H24  H 0 1 N N N 3.633  -41.698 49.384 -2.898  -3.853 1.286  H24  AXQ 57  
AXQ H26  H26  H 0 1 N N N 6.356  -41.699 48.012 -0.778  -3.809 -0.886 H26  AXQ 58  
AXQ H281 1H28 H 0 0 N N N 5.003  -43.192 50.363 0.354   -4.365 1.445  H281 AXQ 59  
AXQ H282 2H28 H 0 0 N N N 5.786  -44.117 49.017 -0.899  -3.337 2.181  H282 AXQ 60  
AXQ H31  H31  H 0 1 N N N 5.292  -35.809 48.465 -6.887  -0.289 -2.084 H31  AXQ 61  
AXQ H371 1H37 H 0 0 N N N 4.338  -31.586 49.809 -8.208  3.663  -0.066 H371 AXQ 62  
AXQ H372 2H37 H 0 0 N N N 6.036  -31.045 49.578 -9.262  3.591  1.366  H372 AXQ 63  
AXQ H373 3H37 H 0 0 N N N 5.187  -30.705 51.124 -7.799  2.581  1.287  H373 AXQ 64  
AXQ H411 1H41 H 0 0 N N N 4.511  -33.980 52.154 -11.149 1.696  -1.222 H411 AXQ 65  
AXQ H412 2H41 H 0 0 N N N 4.367  -32.208 52.414 -11.219 3.074  -0.099 H412 AXQ 66  
AXQ H413 3H41 H 0 0 N N N 5.799  -33.094 53.040 -10.165 3.146  -1.531 H413 AXQ 67  
AXQ H451 1H45 H 0 0 N N N 7.696  -33.490 51.721 -9.181  0.545  1.720  H451 AXQ 68  
AXQ H452 2H45 H 0 0 N N N 7.530  -31.701 51.693 -10.644 1.556  1.800  H452 AXQ 69  
AXQ H453 3H45 H 0 0 N N N 7.871  -32.596 50.173 -10.575 0.177  0.677  H453 AXQ 70  
AXQ H501 1H50 H 0 0 N N N 9.653  -36.936 51.578 -3.965  3.213  1.894  H501 AXQ 71  
AXQ H502 2H50 H 0 0 N N N 11.293 -37.415 51.022 -2.783  4.072  0.877  H502 AXQ 72  
AXQ H503 3H50 H 0 0 N N N 10.473 -38.354 52.316 -4.470  3.908  0.335  H503 AXQ 73  
AXQ H55  H55  H 0 1 N N N 11.259 -43.974 49.008 2.099   -0.086 0.686  H55  AXQ 74  
AXQ H57  H57  H 0 1 N N N 10.985 -41.722 47.204 0.203   0.157  -1.425 H57  AXQ 75  
AXQ H591 1H59 H 0 0 N N N 12.405 -41.859 50.253 2.024   2.425  0.553  H591 AXQ 76  
AXQ H592 2H59 H 0 0 N N N 12.510 -41.189 48.624 1.053   2.279  -0.933 H592 AXQ 77  
AXQ H62  H62  H 0 1 N N N 13.342 -43.626 47.961 2.912   0.896  -1.932 H62  AXQ 78  
AXQ H641 1H64 H 0 0 N N N 15.763 -42.877 49.013 4.399   2.817  -2.353 H641 AXQ 79  
AXQ H642 2H64 H 0 0 N N N 14.872 -41.326 49.170 2.699   3.345  -2.354 H642 AXQ 80  
AXQ H643 3H64 H 0 0 N N N 15.049 -42.101 47.560 3.729   3.663  -0.938 H643 AXQ 81  
AXQ H70  H70  H 0 1 N N N 14.475 -45.472 48.895 5.593   1.022  -1.685 H70  AXQ 82  
AXQ H72  H72  H 0 1 N N N 13.757 -46.053 51.649 6.380   0.808  1.119  H72  AXQ 83  
AXQ H74  H74  H 0 1 N N N 13.988 -47.810 49.945 7.188   -1.524 0.879  H74  AXQ 84  
AXQ H761 1H76 H 0 0 N N N 16.698 -48.494 49.989 4.240   -1.175 0.169  H761 AXQ 85  
AXQ H762 2H76 H 0 0 N N N 16.784 -46.700 49.935 4.968   -2.630 0.891  H762 AXQ 86  
AXQ H763 3H76 H 0 0 N N N 15.912 -47.597 48.646 4.928   -1.105 1.809  H763 AXQ 87  
AXQ H801 1H80 H 0 0 N N N 14.164 -48.267 52.449 7.510   -1.493 -1.580 H801 AXQ 88  
AXQ H802 2H80 H 0 0 N N N 15.951 -48.154 52.297 6.476   -2.856 -1.088 H802 AXQ 89  
AXQ H803 3H80 H 0 0 N N N 15.058 -49.457 51.444 5.748   -1.401 -1.810 H803 AXQ 90  
AXQ H86  H86  H 0 1 N N N 15.151 -46.150 53.532 8.914   -0.102 1.015  H86  AXQ 91  
AXQ H881 1H88 H 0 0 N N N 17.366 -44.205 53.286 10.326  1.857  -0.450 H881 AXQ 92  
AXQ H882 2H88 H 0 0 N N N 17.836 -45.877 53.776 10.366  0.333  -1.369 H882 AXQ 93  
AXQ H911 1H91 H 0 0 N N N 17.552 -44.781 55.851 11.309  -0.832 0.607  H911 AXQ 94  
AXQ H912 2H91 H 0 0 N N N 15.960 -45.584 55.608 11.269  0.692  1.525  H912 AXQ 95  
AXQ H941 1H94 H 0 0 N N N 15.037 -43.463 54.680 12.800  1.728  -0.127 H941 AXQ 96  
AXQ H942 2H94 H 0 0 N N N 16.622 -42.668 54.913 12.840  0.204  -1.046 H942 AXQ 97  
AXQ H971 1H97 H 0 0 N N N 14.955 -43.959 57.156 14.817  0.401  0.438  H971 AXQ 98  
AXQ H972 2H97 H 0 0 N N N 15.038 -42.197 56.817 13.743  0.563  1.848  H972 AXQ 99  
AXQ H973 3H97 H 0 0 N N N 16.506 -43.078 57.360 13.783  -0.961 0.929  H973 AXQ 100 
# 
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 
AXQ S1  C2   SING N N 1   
AXQ S1  C28  SING N N 2   
AXQ C2  C5   SING N N 3   
AXQ C2  H21  SING N N 4   
AXQ C2  H22  SING N N 5   
AXQ C5  N7   SING N N 6   
AXQ C5  C55  SING N N 7   
AXQ C5  H5   SING N N 8   
AXQ N7  C9   SING N N 9   
AXQ N7  HN7  SING N N 10  
AXQ C9  C10  SING N N 11  
AXQ C9  O54  DOUB N N 12  
AXQ C10 N12  SING N N 13  
AXQ C10 C50  SING N N 14  
AXQ C10 H10  SING N N 15  
AXQ N12 C14  SING N N 16  
AXQ N12 H12  SING N N 17  
AXQ C14 C15  SING N N 18  
AXQ C14 O49  DOUB N N 19  
AXQ C15 C17  SING N N 20  
AXQ C15 N31  SING N N 21  
AXQ C15 H15  SING N N 22  
AXQ C17 S20  SING N N 23  
AXQ C17 H171 SING N N 24  
AXQ C17 H172 SING N N 25  
AXQ S20 C21  SING N N 26  
AXQ C21 C24  SING N N 27  
AXQ C21 H211 SING N N 28  
AXQ C21 H212 SING N N 29  
AXQ C24 C26  DOUB N E 30  
AXQ C24 H24  SING N N 31  
AXQ C26 C28  SING N N 32  
AXQ C26 H26  SING N N 33  
AXQ C28 H281 SING N N 34  
AXQ C28 H282 SING N N 35  
AXQ N31 C33  SING N N 36  
AXQ N31 H31  SING N N 37  
AXQ C33 O34  DOUB N N 38  
AXQ C33 O35  SING N N 39  
AXQ O35 C36  SING N N 40  
AXQ C36 C37  SING N N 41  
AXQ C36 C41  SING N N 42  
AXQ C36 C45  SING N N 43  
AXQ C37 H371 SING N N 44  
AXQ C37 H372 SING N N 45  
AXQ C37 H373 SING N N 46  
AXQ C41 H411 SING N N 47  
AXQ C41 H412 SING N N 48  
AXQ C41 H413 SING N N 49  
AXQ C45 H451 SING N N 50  
AXQ C45 H452 SING N N 51  
AXQ C45 H453 SING N N 52  
AXQ C50 H501 SING N N 53  
AXQ C50 H502 SING N N 54  
AXQ C50 H503 SING N N 55  
AXQ C55 O57  SING N N 56  
AXQ C55 C59  SING N N 57  
AXQ C55 H55  SING N N 58  
AXQ O57 H57  SING N N 59  
AXQ C59 C62  SING N N 60  
AXQ C59 H591 SING N N 61  
AXQ C59 H592 SING N N 62  
AXQ C62 C64  SING N N 63  
AXQ C62 C68  SING N N 64  
AXQ C62 H62  SING N N 65  
AXQ C64 H641 SING N N 66  
AXQ C64 H642 SING N N 67  
AXQ C64 H643 SING N N 68  
AXQ C68 O69  DOUB N N 69  
AXQ C68 N70  SING N N 70  
AXQ N70 C72  SING N N 71  
AXQ N70 H70  SING N N 72  
AXQ C72 C74  SING N N 73  
AXQ C72 C84  SING N N 74  
AXQ C72 H72  SING N N 75  
AXQ C74 C76  SING N N 76  
AXQ C74 C80  SING N N 77  
AXQ C74 H74  SING N N 78  
AXQ C76 H761 SING N N 79  
AXQ C76 H762 SING N N 80  
AXQ C76 H763 SING N N 81  
AXQ C80 H801 SING N N 82  
AXQ C80 H802 SING N N 83  
AXQ C80 H803 SING N N 84  
AXQ C84 O85  DOUB N N 85  
AXQ C84 N86  SING N N 86  
AXQ N86 C88  SING N N 87  
AXQ N86 H86  SING N N 88  
AXQ C88 C91  SING N N 89  
AXQ C88 H881 SING N N 90  
AXQ C88 H882 SING N N 91  
AXQ C91 C94  SING N N 92  
AXQ C91 H911 SING N N 93  
AXQ C91 H912 SING N N 94  
AXQ C94 C97  SING N N 95  
AXQ C94 H941 SING N N 96  
AXQ C94 H942 SING N N 97  
AXQ C97 H971 SING N N 98  
AXQ C97 H972 SING N N 99  
AXQ C97 H973 SING N N 100 
# 
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 
AXQ SMILES           ACDLabs              10.04 O=C(NCCCC)C(NC(=O)C(C)CC(O)C1NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CSCC=CCSC1)C)C(C)C 
AXQ InChI            InChI                1.02b 
;InChI=1/C31H55N5O7S2/c1-9-10-13-32-29(41)25(19(2)3)36-26(38)20(4)16-24(37)22-17-44-14-11-12-15-45-18-23(35-30(42)43-31(6,7)8)28(40)33-21(5)27(39)34-22/h11-12,19-25,37H,9-10,13-18H2,1-8H3,(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H,36,38)/b12-11+/t20-,21+,22+,23+,24+,25+/m1/s1/f/h32-36H
;
AXQ InChIKey         InChI                1.02b YFVXRNZNJJXEKV-WWIVQZNFDZ 
AXQ SMILES_CANONICAL CACTVS               3.341 CCCCNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC/C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(C)C 
AXQ SMILES           CACTVS               3.341 CCCCNC(=O)[CH](NC(=O)[CH](C)C[CH](O)[CH]1CSCC=CCSC[CH](NC(=O)OC(C)(C)C)C(=O)N[CH](C)C(=O)N1)C(C)C 
AXQ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSC\C=C\CSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O 
AXQ SMILES           "OpenEye OEToolkits" 1.5.0 CCCCNC(=O)C(C(C)C)NC(=O)C(C)CC(C1CSCC=CCSCC(C(=O)NC(C(=O)N1)C)NC(=O)OC(C)(C)C)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 
AXQ "SYSTEMATIC NAME" ACDLabs              10.04 "tert-butyl {(3R,6S,9R,13E)-3-[(1S,3R)-4-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]amino}-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl}carbamate"         
AXQ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "tert-butyl N-[(3R,6S,9R,13E)-3-[(1S,3R)-4-[[(2S)-1-butylamino-3-methyl-1-oxo-butan-2-yl]amino]-1-hydroxy-3-methyl-4-oxo-butyl]-6-methyl-5,8-dioxo-1,11-dithia-4,7-diazacyclopentadec-13-en-9-yl]carbamate" 
# 
