data_MMI # _chem_comp.id MMI _chem_comp.name ;N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H62 N6 O8" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms MMI-175 _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-12-06 _chem_comp.pdbx_modified_date 2020-06-17 _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 730.934 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MMI _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 1XS7 _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 MMI C11 C11 C 0 1 N N S 51.134 21.944 105.988 -6.716 1.441 -1.098 C11 MMI 1 MMI C12 C12 C 0 1 N N N 52.437 21.524 105.204 -7.848 0.999 -0.169 C12 MMI 2 MMI C13 C13 C 0 1 N N N 52.476 22.168 103.794 -8.237 2.160 0.749 C13 MMI 3 MMI C14 C14 C 0 1 N N N 52.604 19.975 105.030 -9.060 0.581 -1.004 C14 MMI 4 MMI N1 N1 N 0 1 N N N 50.949 23.440 106.126 -6.465 0.388 -2.113 N1 MMI 5 MMI C16 C16 C 0 1 N N N 51.605 24.376 106.981 -6.787 -0.880 -1.707 C16 MMI 6 MMI O12 O12 O 0 1 N N N 51.222 25.550 106.867 -7.240 -1.082 -0.597 O12 MMI 7 MMI O13 O13 O 0 1 N N N 52.607 24.022 107.909 -6.590 -1.897 -2.567 O13 MMI 8 MMI C17 C17 C 0 1 N N N 53.892 24.671 107.841 -6.923 -3.255 -2.175 C17 MMI 9 MMI C15 C15 C 0 1 N N N 51.026 21.316 107.415 -5.453 1.647 -0.303 C15 MMI 10 MMI O11 O11 O 0 1 N N N 51.967 21.043 108.115 -4.575 2.374 -0.718 O11 MMI 11 MMI N21 N21 N 0 1 N N N 49.772 21.133 107.850 -5.313 1.007 0.890 N21 MMI 12 MMI C21 C21 C 0 1 N N S 49.379 19.901 108.528 -4.048 1.249 1.617 C21 MMI 13 MMI C22 C22 C 0 1 N N N 48.982 20.099 110.024 -3.864 0.153 2.669 C22 MMI 14 MMI C23 C23 C 0 1 N N N 50.151 20.513 110.963 -3.375 -1.107 2.002 C23 MMI 15 MMI O22 O22 O 0 1 N N N 49.904 21.139 111.994 -2.833 -1.059 0.917 O22 MMI 16 MMI N22 N22 N 0 1 N N N 51.448 20.118 110.611 -3.550 -2.300 2.636 N22 MMI 17 MMI C29 C29 C 0 1 N N N 48.171 19.297 107.750 -2.895 1.217 0.647 C29 MMI 18 MMI O21 O21 O 0 1 N N N 47.138 19.967 107.574 -3.028 0.689 -0.436 O21 MMI 19 MMI C28 C28 C 0 1 N N N 54.678 24.464 109.147 -5.639 -4.028 -1.870 C28 MMI 20 MMI C27 C27 C 0 1 N N N 54.777 22.974 109.520 -5.682 -4.539 -0.428 C27 MMI 21 MMI C26 C26 C 0 1 N N N 53.601 22.477 110.389 -4.254 -4.699 0.099 C26 MMI 22 MMI C25 C25 C 0 1 N N N 53.761 20.981 110.707 -4.230 -4.409 1.601 C25 MMI 23 MMI C24 C24 C 0 1 N N N 52.604 20.450 111.504 -3.047 -3.495 1.925 C24 MMI 24 MMI N3 N3 N 0 1 N N N 48.378 17.982 107.278 -1.716 1.777 0.984 N3 MMI 25 MMI C31 C31 C 0 1 N N S 47.355 17.219 106.486 -0.631 1.845 0.002 C31 MMI 26 MMI C32 C32 C 0 1 N N S 46.674 16.167 107.436 0.710 1.961 0.731 C32 MMI 27 MMI O31 O31 O 0 1 N N N 47.509 15.899 108.584 0.716 3.144 1.532 O31 MMI 28 MMI C33 C33 C 0 1 N N N 47.967 16.548 105.207 -0.830 3.069 -0.895 C33 MMI 29 MMI C34 C34 C 0 1 N N N 48.684 17.514 104.188 0.234 3.075 -1.994 C34 MMI 30 MMI C35 C35 C 0 1 N N N 47.742 18.613 103.626 0.036 1.860 -2.903 C35 MMI 31 MMI C36 C36 C 0 1 N N N 49.268 16.741 102.986 0.107 4.356 -2.820 C36 MMI 32 MMI C37 C37 C 0 1 N N N 45.251 16.663 107.860 0.909 0.737 1.628 C37 MMI 33 MMI C38 C38 C 0 1 N N R 44.699 16.676 109.337 2.318 0.767 2.224 C38 MMI 34 MMI C39 C39 C 0 1 N N N 45.533 17.486 110.346 2.467 -0.370 3.238 C39 MMI 35 MMI C30 C30 C 0 1 N N N 43.255 17.249 109.288 3.333 0.595 1.124 C30 MMI 36 MMI O32 O32 O 0 1 N N N 43.030 18.464 109.339 2.966 0.462 -0.024 O32 MMI 37 MMI N4 N4 N 0 1 N N N 42.231 16.266 109.138 4.649 0.589 1.416 N4 MMI 38 MMI C41 C41 C 0 1 N N S 40.738 16.522 109.014 5.636 0.422 0.346 C41 MMI 39 MMI C42 C42 C 0 1 N N N 39.929 15.188 108.748 5.933 1.781 -0.291 C42 MMI 40 MMI C45 C45 C 0 1 N N N 40.287 17.256 110.310 6.906 -0.153 0.919 C45 MMI 41 MMI O4 O4 O 0 1 N N N 40.741 16.934 111.401 7.058 -0.208 2.121 O4 MMI 42 MMI C44 C44 C 0 1 N N N 40.370 14.480 107.464 4.677 2.301 -0.993 C44 MMI 43 MMI C43 C43 C 0 1 N N N 38.428 15.412 108.606 6.357 2.771 0.795 C43 MMI 44 MMI N5 N5 N 0 1 N N N 39.351 18.279 110.095 7.872 -0.606 0.096 N5 MMI 45 MMI C51 C51 C 0 1 N N N 38.774 19.117 111.179 9.150 -1.062 0.648 C51 MMI 46 MMI C52 C52 C 0 1 Y N N 38.226 20.453 110.664 10.049 -1.514 -0.474 C52 MMI 47 MMI C57 C57 C 0 1 Y N N 36.819 20.678 110.439 10.899 -0.612 -1.085 C57 MMI 48 MMI C56 C56 C 0 1 Y N N 36.335 21.945 109.957 11.724 -1.027 -2.114 C56 MMI 49 MMI C55 C55 C 0 1 Y N N 37.260 23.013 109.698 11.698 -2.344 -2.531 C55 MMI 50 MMI C54 C54 C 0 1 Y N N 38.662 22.806 109.916 10.849 -3.247 -1.919 C54 MMI 51 MMI C53 C53 C 0 1 Y N N 39.132 21.544 110.396 10.028 -2.833 -0.888 C53 MMI 52 MMI H11 H11 H 0 1 N N N 50.324 21.535 105.340 -6.992 2.371 -1.596 H11 MMI 53 MMI H12 H12 H 0 1 N N N 53.277 21.895 105.837 -7.514 0.155 0.435 H12 MMI 54 MMI H131 1H13 H 0 0 N N N 52.369 23.277 103.847 -8.570 3.004 0.145 H131 MMI 55 MMI H132 2H13 H 0 0 N N N 53.397 21.871 103.240 -9.043 1.846 1.411 H132 MMI 56 MMI H133 3H13 H 0 0 N N N 51.554 21.935 103.212 -7.373 2.458 1.344 H133 MMI 57 MMI H141 1H14 H 0 0 N N N 51.699 19.535 104.550 -8.803 -0.289 -1.607 H141 MMI 58 MMI H142 2H14 H 0 0 N N N 53.525 19.678 104.476 -9.889 0.332 -0.341 H142 MMI 59 MMI H143 3H14 H 0 0 N N N 52.560 19.463 106.019 -9.352 1.403 -1.657 H143 MMI 60 MMI HN1 HN1 H 0 1 N N N 50.257 23.901 105.536 -6.102 0.581 -2.992 HN1 MMI 61 MMI H171 1H17 H 0 0 N N N 53.795 25.752 107.584 -7.459 -3.746 -2.987 H171 MMI 62 MMI H172 2H17 H 0 0 N N N 54.476 24.339 106.951 -7.554 -3.232 -1.286 H172 MMI 63 MMI H2 H2 H 0 1 N N N 49.135 21.909 107.670 -6.003 0.424 1.244 H2 MMI 64 MMI H21 H21 H 0 1 N N N 50.264 19.222 108.534 -4.088 2.222 2.106 H21 MMI 65 MMI H221 1H22 H 0 0 N N N 48.480 19.183 110.414 -3.133 0.479 3.409 H221 MMI 66 MMI H222 2H22 H 0 0 N N N 48.144 20.830 110.107 -4.816 -0.043 3.160 H222 MMI 67 MMI H22 H22 H 0 1 N N N 51.547 19.606 109.734 -3.979 -2.362 3.504 H22 MMI 68 MMI H281 1H28 H 0 0 N N N 54.246 25.065 109.981 -4.780 -3.369 -1.996 H281 MMI 69 MMI H282 2H28 H 0 0 N N N 55.686 24.938 109.095 -5.552 -4.873 -2.552 H282 MMI 70 MMI H271 1H27 H 0 0 N N N 55.753 22.755 110.013 -6.190 -5.503 -0.399 H271 MMI 71 MMI H272 2H27 H 0 0 N N N 54.886 22.345 108.606 -6.221 -3.825 0.195 H272 MMI 72 MMI H261 1H26 H 0 0 N N N 52.615 22.698 109.918 -3.596 -4.000 -0.417 H261 MMI 73 MMI H262 2H26 H 0 0 N N N 53.483 23.087 111.315 -3.913 -5.719 -0.080 H262 MMI 74 MMI H251 1H25 H 0 0 N N N 54.732 20.777 111.217 -4.126 -5.345 2.150 H251 MMI 75 MMI H252 2H25 H 0 0 N N N 53.921 20.384 109.779 -5.159 -3.918 1.892 H252 MMI 76 MMI H241 1H24 H 0 0 N N N 52.902 19.579 112.133 -2.557 -3.190 1.000 H241 MMI 77 MMI H242 2H24 H 0 0 N N N 52.308 21.152 112.318 -2.337 -4.026 2.559 H242 MMI 78 MMI HN3 HN3 H 0 1 N N N 49.283 17.576 107.514 -1.586 2.134 1.876 HN3 MMI 79 MMI H1 H1 H 0 1 N N N 46.585 17.929 106.105 -0.636 0.942 -0.608 H1 MMI 80 MMI H32 H32 H 0 1 N N N 46.552 15.207 106.882 1.517 2.011 0.001 H32 MMI 81 MMI H31 H31 H 0 1 N N N 47.098 15.264 109.158 -0.011 3.059 2.163 H31 MMI 82 MMI H331 1H33 H 0 0 N N N 47.182 15.958 104.679 -0.741 3.976 -0.297 H331 MMI 83 MMI H332 2H33 H 0 0 N N N 48.665 15.732 105.507 -1.821 3.029 -1.348 H332 MMI 84 MMI H34 H34 H 0 1 N N N 49.498 17.997 104.777 1.225 3.031 -1.540 H34 MMI 85 MMI H351 1H35 H 0 0 N N N 47.266 19.190 104.453 -0.990 1.847 -3.272 H351 MMI 86 MMI H352 2H35 H 0 0 N N N 48.249 19.296 102.905 0.725 1.920 -3.745 H352 MMI 87 MMI H353 3H35 H 0 0 N N N 46.830 18.161 103.171 0.230 0.948 -2.339 H353 MMI 88 MMI H361 1H36 H 0 0 N N N 48.489 16.123 102.482 -0.883 4.400 -3.273 H361 MMI 89 MMI H362 2H36 H 0 0 N N N 49.775 17.424 102.265 0.249 5.221 -2.172 H362 MMI 90 MMI H363 3H36 H 0 0 N N N 49.949 15.923 103.320 0.866 4.360 -3.603 H363 MMI 91 MMI H371 1H37 H 0 0 N N N 44.516 16.089 107.248 0.174 0.752 2.432 H371 MMI 92 MMI H372 2H37 H 0 0 N N N 45.144 17.702 107.469 0.784 -0.170 1.038 H372 MMI 93 MMI H38 H38 H 0 1 N N N 44.743 15.625 109.708 2.482 1.722 2.723 H38 MMI 94 MMI H391 1H39 H 0 0 N N N 45.669 18.530 109.979 1.677 -0.296 3.985 H391 MMI 95 MMI H392 2H39 H 0 0 N N N 45.143 17.495 111.390 2.391 -1.328 2.723 H392 MMI 96 MMI H393 3H39 H 0 0 N N N 46.591 17.135 110.336 3.438 -0.296 3.727 H393 MMI 97 MMI HN4 HN4 H 0 1 N N N 42.592 15.312 109.118 4.943 0.695 2.334 HN4 MMI 98 MMI H41 H41 H 0 1 N N N 40.523 17.163 108.128 5.240 -0.256 -0.411 H41 MMI 99 MMI H42 H42 H 0 1 N N N 40.148 14.567 109.648 6.737 1.673 -1.019 H42 MMI 100 MMI H441 1H44 H 0 0 N N N 41.468 14.289 107.469 3.872 2.408 -0.265 H441 MMI 101 MMI H442 2H44 H 0 0 N N N 39.800 13.540 107.277 4.888 3.269 -1.446 H442 MMI 102 MMI H443 3H44 H 0 0 N N N 40.311 15.166 106.587 4.374 1.595 -1.766 H443 MMI 103 MMI H431 1H43 H 0 0 N N N 38.213 16.170 107.817 7.201 2.362 1.351 H431 MMI 104 MMI H432 2H43 H 0 0 N N N 37.858 14.472 108.419 6.650 3.714 0.333 H432 MMI 105 MMI H433 3H43 H 0 0 N N N 38.022 15.951 109.494 5.523 2.943 1.476 H433 MMI 106 MMI HN5 HN5 H 0 1 N N N 39.082 18.418 109.121 7.721 -0.630 -0.862 HN5 MMI 107 MMI H511 1H51 H 0 0 N N N 39.513 19.277 111.998 9.626 -0.243 1.187 H511 MMI 108 MMI H512 2H51 H 0 0 N N N 37.995 18.557 111.747 8.975 -1.893 1.331 H512 MMI 109 MMI H57 H57 H 0 1 N N N 36.100 19.866 110.639 10.919 0.418 -0.759 H57 MMI 110 MMI H56 H56 H 0 1 N N N 35.256 22.097 109.786 12.387 -0.322 -2.592 H56 MMI 111 MMI H55 H55 H 0 1 N N N 36.895 23.988 109.333 12.342 -2.668 -3.336 H55 MMI 112 MMI H54 H54 H 0 1 N N N 39.380 23.619 109.714 10.829 -4.276 -2.246 H54 MMI 113 MMI H53 H53 H 0 1 N N N 40.214 21.410 110.563 9.364 -3.538 -0.410 H53 MMI 114 # # 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 MMI C11 C12 SING N N 1 MMI C11 N1 SING N N 2 MMI C11 C15 SING N N 3 MMI C11 H11 SING N N 4 MMI C12 C13 SING N N 5 MMI C12 C14 SING N N 6 MMI C12 H12 SING N N 7 MMI C13 H131 SING N N 8 MMI C13 H132 SING N N 9 MMI C13 H133 SING N N 10 MMI C14 H141 SING N N 11 MMI C14 H142 SING N N 12 MMI C14 H143 SING N N 13 MMI N1 C16 SING N N 14 MMI N1 HN1 SING N N 15 MMI C16 O12 DOUB N N 16 MMI C16 O13 SING N N 17 MMI O13 C17 SING N N 18 MMI C17 C28 SING N N 19 MMI C17 H171 SING N N 20 MMI C17 H172 SING N N 21 MMI C15 O11 DOUB N N 22 MMI C15 N21 SING N N 23 MMI N21 C21 SING N N 24 MMI N21 H2 SING N N 25 MMI C21 C22 SING N N 26 MMI C21 C29 SING N N 27 MMI C21 H21 SING N N 28 MMI C22 C23 SING N N 29 MMI C22 H221 SING N N 30 MMI C22 H222 SING N N 31 MMI C23 O22 DOUB N N 32 MMI C23 N22 SING N N 33 MMI N22 C24 SING N N 34 MMI N22 H22 SING N N 35 MMI C29 O21 DOUB N N 36 MMI C29 N3 SING N N 37 MMI C28 C27 SING N N 38 MMI C28 H281 SING N N 39 MMI C28 H282 SING N N 40 MMI C27 C26 SING N N 41 MMI C27 H271 SING N N 42 MMI C27 H272 SING N N 43 MMI C26 C25 SING N N 44 MMI C26 H261 SING N N 45 MMI C26 H262 SING N N 46 MMI C25 C24 SING N N 47 MMI C25 H251 SING N N 48 MMI C25 H252 SING N N 49 MMI C24 H241 SING N N 50 MMI C24 H242 SING N N 51 MMI N3 C31 SING N N 52 MMI N3 HN3 SING N N 53 MMI C31 C32 SING N N 54 MMI C31 C33 SING N N 55 MMI C31 H1 SING N N 56 MMI C32 O31 SING N N 57 MMI C32 C37 SING N N 58 MMI C32 H32 SING N N 59 MMI O31 H31 SING N N 60 MMI C33 C34 SING N N 61 MMI C33 H331 SING N N 62 MMI C33 H332 SING N N 63 MMI C34 C35 SING N N 64 MMI C34 C36 SING N N 65 MMI C34 H34 SING N N 66 MMI C35 H351 SING N N 67 MMI C35 H352 SING N N 68 MMI C35 H353 SING N N 69 MMI C36 H361 SING N N 70 MMI C36 H362 SING N N 71 MMI C36 H363 SING N N 72 MMI C37 C38 SING N N 73 MMI C37 H371 SING N N 74 MMI C37 H372 SING N N 75 MMI C38 C39 SING N N 76 MMI C38 C30 SING N N 77 MMI C38 H38 SING N N 78 MMI C39 H391 SING N N 79 MMI C39 H392 SING N N 80 MMI C39 H393 SING N N 81 MMI C30 O32 DOUB N N 82 MMI C30 N4 SING N N 83 MMI N4 C41 SING N N 84 MMI N4 HN4 SING N N 85 MMI C41 C42 SING N N 86 MMI C41 C45 SING N N 87 MMI C41 H41 SING N N 88 MMI C42 C44 SING N N 89 MMI C42 C43 SING N N 90 MMI C42 H42 SING N N 91 MMI C45 O4 DOUB N N 92 MMI C45 N5 SING N N 93 MMI C44 H441 SING N N 94 MMI C44 H442 SING N N 95 MMI C44 H443 SING N N 96 MMI C43 H431 SING N N 97 MMI C43 H432 SING N N 98 MMI C43 H433 SING N N 99 MMI N5 C51 SING N N 100 MMI N5 HN5 SING N N 101 MMI C51 C52 SING N N 102 MMI C51 H511 SING N N 103 MMI C51 H512 SING N N 104 MMI C52 C57 DOUB Y N 105 MMI C52 C53 SING Y N 106 MMI C57 C56 SING Y N 107 MMI C57 H57 SING N N 108 MMI C56 C55 DOUB Y N 109 MMI C56 H56 SING N N 110 MMI C55 C54 SING Y N 111 MMI C55 H55 SING N N 112 MMI C54 C53 DOUB Y N 113 MMI C54 H54 SING N N 114 MMI C53 H53 SING N N 115 # # 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 MMI SMILES ACDLabs 10.04 "O=C(NCc1ccccc1)C(NC(=O)C(C)CC(O)C(NC(=O)C2NC(=O)C(NC(=O)OCCCCCCNC(=O)C2)C(C)C)CC(C)C)C(C)C" MMI SMILES_CANONICAL CACTVS 3.341 "CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2" MMI SMILES CACTVS 3.341 "CC(C)C[CH](NC(=O)[CH]1CC(=O)NCCCCCCOC(=O)N[CH](C(C)C)C(=O)N1)[CH](O)C[CH](C)C(=O)N[CH](C(C)C)C(=O)NCc2ccccc2" MMI SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)O)NC(=O)[C@@H]2CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N2)C(C)C" MMI SMILES "OpenEye OEToolkits" 1.5.0 "CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1)O)NC(=O)C2CC(=O)NCCCCCCOC(=O)NC(C(=O)N2)C(C)C" MMI InChI InChI 1.03 "InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1" MMI InChIKey InChI 1.03 QJAPFAZHNSZLJE-CWURXVSKSA-N # # 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 MMI "SYSTEMATIC NAME" ACDLabs 10.04 "(4S,7S)-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-4-(1-methylethyl)-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide" MMI "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(4S,7S)-N-[(4S,5S,7R)-5-hydroxy-2,7-dimethyl-8-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-8-oxo-octan-4-yl]-2,5,9-trioxo-4-propan-2-yl-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site MMI "Create component" 2004-12-06 RCSB MMI "Modify descriptor" 2011-06-04 RCSB MMI "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id MMI _pdbx_chem_comp_synonyms.name MMI-175 _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##