data_1T8 # _chem_comp.id 1T8 _chem_comp.name "methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H54 N6 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2014-02-08 _chem_comp.pdbx_modified_date 2014-12-12 _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 726.904 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1T8 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 4CPT _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # 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 1T8 CAR CAR C 0 1 Y N N 7.835 23.484 2.773 -5.758 -2.864 -0.794 CAR 1T8 1 1T8 CAT CAT C 0 1 Y N N 9.099 23.034 3.141 -4.404 -2.594 -0.730 CAT 1T8 2 1T8 CBS CBS C 0 1 Y N N 10.222 23.829 2.923 -3.808 -1.815 -1.705 CBS 1T8 3 1T8 CBF CBF C 0 1 N N N 11.475 23.464 3.434 -2.333 -1.512 -1.629 CBF 1T8 4 1T8 CAU CAU C 0 1 Y N N 10.068 25.037 2.254 -4.564 -1.311 -2.746 CAU 1T8 5 1T8 CAS CAS C 0 1 Y N N 8.802 25.497 1.909 -5.919 -1.580 -2.809 CAS 1T8 6 1T8 CBQ CBQ C 0 1 Y N N 7.676 24.722 2.154 -6.516 -2.353 -1.832 CBQ 1T8 7 1T8 CBB CBB C 0 1 N N N 6.414 25.212 1.789 -7.996 -2.637 -1.892 CBB 1T8 8 1T8 CAM CAM C 0 1 N N N 5.417 24.874 2.707 -8.528 -2.804 -0.491 CAM 1T8 9 1T8 CAL CAL C 0 1 N N N 5.192 25.562 3.904 -8.501 -1.796 0.345 CAL 1T8 10 1T8 CAZ CAZ C 0 1 N N N 6.078 26.509 4.423 -7.942 -0.467 -0.092 CAZ 1T8 11 1T8 NBH NBH N 0 1 N N N 6.993 25.850 5.384 -6.939 -0.020 0.898 NBH 1T8 12 1T8 C C C 0 1 N N N 8.208 26.452 5.724 -5.952 0.791 0.420 C 1T8 13 1T8 O O O 0 1 N N N 8.474 27.534 5.196 -5.932 1.112 -0.749 O 1T8 14 1T8 CA CA C 0 1 N N S 9.169 25.733 6.470 -4.888 1.284 1.367 CA 1T8 15 1T8 CB CB C 0 1 N N N 9.533 26.532 7.730 -5.113 2.767 1.669 CB 1T8 16 1T8 CG1 CG1 C 0 1 N N N 8.279 26.728 8.588 -6.532 2.969 2.204 CG1 1T8 17 1T8 CG2 CG2 C 0 1 N N N 10.604 25.792 8.538 -4.101 3.233 2.718 CG2 1T8 18 1T8 N N N 0 1 N N N 10.373 25.526 5.625 -3.565 1.101 0.716 N 1T8 19 1T8 CBP CBP C 0 1 N N N 11.038 24.296 5.534 -3.401 -0.121 0.117 CBP 1T8 20 1T8 OAJ OAJ O 0 1 N N N 10.584 23.323 6.144 -4.282 -0.952 0.156 OAJ 1T8 21 1T8 CCA CCA C 0 1 N N R 12.023 24.155 4.540 -2.102 -0.410 -0.591 CCA 1T8 22 1T8 OAK OAK O 0 1 N N N 12.438 25.466 4.121 -1.641 0.774 -1.245 OAK 1T8 23 1T8 CBD CBD C 0 1 N N N 13.276 23.426 5.070 -1.057 -0.874 0.426 CBD 1T8 24 1T8 CBA CBA C 0 1 N N N 13.630 23.923 6.484 -0.843 0.221 1.473 CBA 1T8 25 1T8 CBC CBC C 0 1 N N N 15.129 23.760 6.779 0.113 -0.288 2.554 CBC 1T8 26 1T8 NBY NBY N 0 1 N N N 15.491 22.377 7.144 1.446 -0.495 1.970 NBY 1T8 27 1T8 NBK NBK N 0 1 N N N 15.893 21.616 6.207 2.003 0.692 1.589 NBK 1T8 28 1T8 CBO CBO C 0 1 N N N 15.377 20.526 5.607 2.269 0.924 0.288 CBO 1T8 29 1T8 OAI OAI O 0 1 N N N 14.071 20.177 6.064 1.937 0.115 -0.553 OAI 1T8 30 1T8 CBX CBX C 0 1 N N S 16.152 19.738 4.815 2.980 2.188 -0.122 CBX 1T8 31 1T8 CBZ CBZ C 0 1 N N N 15.477 18.987 3.654 2.028 3.377 0.018 CBZ 1T8 32 1T8 CAD CAD C 0 1 N N N 14.589 17.860 4.195 1.631 3.543 1.486 CAD 1T8 33 1T8 CAE CAE C 0 1 N N N 14.628 19.955 2.832 2.725 4.649 -0.470 CAE 1T8 34 1T8 CAF CAF C 0 1 N N N 16.551 18.371 2.759 0.774 3.128 -0.824 CAF 1T8 35 1T8 NBI NBI N 0 1 N N N 16.851 18.751 5.653 3.416 2.073 -1.516 NBI 1T8 36 1T8 CBM CBM C 0 1 N N N 18.181 18.753 5.789 4.464 2.798 -1.956 CBM 1T8 37 1T8 OAG OAG O 0 1 N N N 18.878 19.510 5.107 5.046 3.547 -1.197 OAG 1T8 38 1T8 OBL OBL O 0 1 N N N 18.745 17.901 6.690 4.865 2.692 -3.237 OBL 1T8 39 1T8 CAA CAA C 0 1 N N N 20.159 18.094 6.791 5.999 3.503 -3.642 CAA 1T8 40 1T8 CBE CBE C 0 1 N N N 16.138 22.199 8.320 2.323 -1.213 2.905 CBE 1T8 41 1T8 CBR CBR C 0 1 Y N N 16.240 20.905 8.836 3.636 -1.515 2.229 CBR 1T8 42 1T8 CAW CAW C 0 1 Y N N 17.481 20.290 8.972 4.677 -0.608 2.309 CAW 1T8 43 1T8 CAY CAY C 0 1 Y N N 17.605 19.059 9.622 5.882 -0.879 1.692 CAY 1T8 44 1T8 CAV CAV C 0 1 Y N N 15.156 20.358 9.503 3.798 -2.701 1.536 CAV 1T8 45 1T8 CAX CAX C 0 1 Y N N 15.267 19.119 10.123 4.998 -2.984 0.917 CAX 1T8 46 1T8 CBU CBU C 0 1 Y N N 16.488 18.466 10.199 6.048 -2.070 0.989 CBU 1T8 47 1T8 CBT CBT C 0 1 Y N N 16.569 17.236 10.856 7.341 -2.368 0.324 CBT 1T8 48 1T8 CAQ CAQ C 0 1 Y N N 17.683 16.928 11.628 7.517 -3.560 -0.385 CAQ 1T8 49 1T8 CAO CAO C 0 1 Y N N 17.725 15.747 12.362 8.742 -3.790 -0.987 CAO 1T8 50 1T8 CAN CAN C 0 1 Y N N 16.627 14.897 12.385 9.742 -2.843 -0.870 CAN 1T8 51 1T8 NBG NBG N 0 1 Y N N 15.465 15.246 11.690 9.546 -1.727 -0.195 NBG 1T8 52 1T8 CAP CAP C 0 1 Y N N 15.447 16.415 10.917 8.396 -1.461 0.390 CAP 1T8 53 1T8 HAR HAR H 0 1 N N N 6.970 22.868 2.969 -6.223 -3.477 -0.036 HAR 1T8 54 1T8 HAT HAT H 0 1 N N N 9.210 22.062 3.599 -3.812 -2.991 0.081 HAT 1T8 55 1T8 HBF1 HBF1 H 0 0 N N N 11.401 22.406 3.727 -1.791 -2.411 -1.333 HBF1 1T8 56 1T8 HBF2 HBF2 H 0 0 N N N 12.195 23.566 2.609 -1.979 -1.176 -2.603 HBF2 1T8 57 1T8 HAU HAU H 0 1 N N N 10.939 25.623 2.000 -4.097 -0.707 -3.510 HAU 1T8 58 1T8 HAS HAS H 0 1 N N N 8.693 26.467 1.446 -6.511 -1.185 -3.622 HAS 1T8 59 1T8 HBB1 HBB1 H 0 0 N N N 6.470 26.308 1.718 -8.506 -1.806 -2.378 HBB1 1T8 60 1T8 HBB2 HBB2 H 0 0 N N N 6.145 24.794 0.808 -8.168 -3.552 -2.458 HBB2 1T8 61 1T8 HAM HAM H 0 1 N N N 4.782 24.031 2.479 -8.932 -3.755 -0.178 HAM 1T8 62 1T8 HAL HAL H 0 1 N N N 4.287 25.350 4.455 -8.880 -1.919 1.349 HAL 1T8 63 1T8 HAZ1 HAZ1 H 0 0 N N N 6.663 26.952 3.604 -7.470 -0.573 -1.069 HAZ1 1T8 64 1T8 HAZ2 HAZ2 H 0 0 N N N 5.511 27.299 4.938 -8.747 0.266 -0.152 HAZ2 1T8 65 1T8 HBH HBH H 0 1 N N N 6.741 24.972 5.791 -6.980 -0.288 1.829 HBH 1T8 66 1T8 HA HA H 0 1 N N N 8.765 24.756 6.776 -4.925 0.711 2.293 HA 1T8 67 1T8 HB HB H 0 1 N N N 9.923 27.516 7.431 -4.983 3.348 0.755 HB 1T8 68 1T8 H H H 0 1 N N N 10.725 26.299 5.097 -2.878 1.786 0.715 H 1T8 69 1T8 HG11 HG11 H 0 0 N N N 8.538 27.300 9.491 -6.662 2.389 3.117 HG11 1T8 70 1T8 HG12 HG12 H 0 0 N N N 7.522 27.278 8.010 -6.692 4.026 2.419 HG12 1T8 71 1T8 HG13 HG13 H 0 0 N N N 7.877 25.746 8.879 -7.252 2.637 1.457 HG13 1T8 72 1T8 HG21 HG21 H 0 0 N N N 10.854 26.375 9.436 -3.094 3.173 2.303 HG21 1T8 73 1T8 HG22 HG22 H 0 0 N N N 10.221 24.805 8.837 -4.317 4.264 2.998 HG22 1T8 74 1T8 HG23 HG23 H 0 0 N N N 11.506 25.664 7.921 -4.170 2.595 3.598 HG23 1T8 75 1T8 HAK HAK H 0 1 N N N 12.807 25.934 4.861 -2.257 1.126 -1.903 HAK 1T8 76 1T8 HBD1 HBD1 H 0 0 N N N 13.078 22.345 5.105 -1.406 -1.783 0.916 HBD1 1T8 77 1T8 HBD2 HBD2 H 0 0 N N N 14.122 23.622 4.395 -0.117 -1.076 -0.087 HBD2 1T8 78 1T8 HBA1 HBA1 H 0 0 N N N 13.363 24.987 6.566 -0.415 1.102 0.995 HBA1 1T8 79 1T8 HBA2 HBA2 H 0 0 N N N 13.055 23.343 7.221 -1.799 0.481 1.927 HBA2 1T8 80 1T8 HBC1 HBC1 H 0 0 N N N 15.697 24.047 5.882 0.179 0.447 3.356 HBC1 1T8 81 1T8 HBC2 HBC2 H 0 0 N N N 15.398 24.426 7.612 -0.259 -1.231 2.954 HBC2 1T8 82 1T8 HBK HBK H 0 1 N N N 16.782 21.885 5.837 2.208 1.368 2.253 HBK 1T8 83 1T8 HBE1 HBE1 H 0 0 N N N 17.162 22.577 8.187 2.501 -0.594 3.784 HBE1 1T8 84 1T8 HBE2 HBE2 H 0 0 N N N 15.617 22.808 9.073 1.847 -2.145 3.207 HBE2 1T8 85 1T8 HBX HBX H 0 1 N N N 16.927 20.370 4.357 3.849 2.341 0.519 HBX 1T8 86 1T8 HBI HBI H 0 1 N N N 16.315 18.058 6.135 2.951 1.474 -2.122 HBI 1T8 87 1T8 HAD1 HAD1 H 0 0 N N N 14.113 17.332 3.355 2.528 3.678 2.091 HAD1 1T8 88 1T8 HAD2 HAD2 H 0 0 N N N 15.204 17.153 4.771 0.987 4.416 1.592 HAD2 1T8 89 1T8 HAD3 HAD3 H 0 0 N N N 13.812 18.286 4.847 1.097 2.654 1.821 HAD3 1T8 90 1T8 HAE1 HAE1 H 0 0 N N N 14.149 19.411 2.004 3.007 4.530 -1.516 HAE1 1T8 91 1T8 HAE2 HAE2 H 0 0 N N N 13.854 20.400 3.475 2.046 5.496 -0.370 HAE2 1T8 92 1T8 HAE3 HAE3 H 0 0 N N N 15.269 20.751 2.425 3.618 4.826 0.130 HAE3 1T8 93 1T8 HAF1 HAF1 H 0 0 N N N 16.072 17.833 1.928 0.329 2.175 -0.539 HAF1 1T8 94 1T8 HAF2 HAF2 H 0 0 N N N 17.195 19.168 2.358 0.056 3.930 -0.653 HAF2 1T8 95 1T8 HAF3 HAF3 H 0 0 N N N 17.160 17.669 3.347 1.045 3.101 -1.879 HAF3 1T8 96 1T8 HAA1 HAA1 H 0 0 N N N 20.574 17.389 7.526 6.868 3.237 -3.040 HAA1 1T8 97 1T8 HAA2 HAA2 H 0 0 N N N 20.624 17.917 5.810 6.217 3.322 -4.695 HAA2 1T8 98 1T8 HAA3 HAA3 H 0 0 N N N 20.366 19.125 7.114 5.764 4.556 -3.495 HAA3 1T8 99 1T8 HAW HAW H 0 1 N N N 18.360 20.771 8.570 4.547 0.315 2.855 HAW 1T8 100 1T8 HAV HAV H 0 1 N N N 14.221 20.897 9.541 2.983 -3.408 1.480 HAV 1T8 101 1T8 HAY HAY H 0 1 N N N 18.566 18.570 9.676 6.694 -0.170 1.755 HAY 1T8 102 1T8 HAX HAX H 0 1 N N N 14.389 18.658 10.552 5.123 -3.910 0.377 HAX 1T8 103 1T8 HAQ HAQ H 0 1 N N N 18.521 17.609 11.658 6.718 -4.283 -0.460 HAQ 1T8 104 1T8 HAP HAP H 0 1 N N N 14.557 16.680 10.365 8.272 -0.534 0.930 HAP 1T8 105 1T8 HAO HAO H 0 1 N N N 18.615 15.490 12.916 8.914 -4.701 -1.542 HAO 1T8 106 1T8 HAN HAN H 0 1 N N N 16.670 13.970 12.938 10.699 -3.019 -1.339 HAN 1T8 107 # 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 1T8 CAR CAT SING Y N 1 1T8 CAR CBQ DOUB Y N 2 1T8 CAT CBS DOUB Y N 3 1T8 CBS CBF SING N N 4 1T8 CBS CAU SING Y N 5 1T8 CBF CCA SING N N 6 1T8 CAU CAS DOUB Y N 7 1T8 CAS CBQ SING Y N 8 1T8 CBQ CBB SING N N 9 1T8 CBB CAM SING N N 10 1T8 CAM CAL DOUB N Z 11 1T8 CAL CAZ SING N N 12 1T8 CAZ NBH SING N N 13 1T8 NBH C SING N N 14 1T8 C O DOUB N N 15 1T8 C CA SING N N 16 1T8 CA CB SING N N 17 1T8 CA N SING N N 18 1T8 CB CG1 SING N N 19 1T8 CB CG2 SING N N 20 1T8 N CBP SING N N 21 1T8 CBP OAJ DOUB N N 22 1T8 CBP CCA SING N N 23 1T8 CCA OAK SING N N 24 1T8 CCA CBD SING N N 25 1T8 CBD CBA SING N N 26 1T8 CBA CBC SING N N 27 1T8 CBC NBY SING N N 28 1T8 NBY NBK SING N N 29 1T8 NBY CBE SING N N 30 1T8 NBK CBO SING N N 31 1T8 CBO OAI DOUB N N 32 1T8 CBO CBX SING N N 33 1T8 CBX CBZ SING N N 34 1T8 CBX NBI SING N N 35 1T8 CBZ CAD SING N N 36 1T8 CBZ CAE SING N N 37 1T8 CBZ CAF SING N N 38 1T8 NBI CBM SING N N 39 1T8 CBM OAG DOUB N N 40 1T8 CBM OBL SING N N 41 1T8 OBL CAA SING N N 42 1T8 CBE CBR SING N N 43 1T8 CBR CAW SING Y N 44 1T8 CBR CAV DOUB Y N 45 1T8 CAW CAY DOUB Y N 46 1T8 CAY CBU SING Y N 47 1T8 CAV CAX SING Y N 48 1T8 CAX CBU DOUB Y N 49 1T8 CBU CBT SING N N 50 1T8 CBT CAQ SING Y N 51 1T8 CBT CAP DOUB Y N 52 1T8 CAQ CAO DOUB Y N 53 1T8 CAO CAN SING Y N 54 1T8 CAN NBG DOUB Y N 55 1T8 NBG CAP SING Y N 56 1T8 CAR HAR SING N N 57 1T8 CAT HAT SING N N 58 1T8 CBF HBF1 SING N N 59 1T8 CBF HBF2 SING N N 60 1T8 CAU HAU SING N N 61 1T8 CAS HAS SING N N 62 1T8 CBB HBB1 SING N N 63 1T8 CBB HBB2 SING N N 64 1T8 CAM HAM SING N N 65 1T8 CAL HAL SING N N 66 1T8 CAZ HAZ1 SING N N 67 1T8 CAZ HAZ2 SING N N 68 1T8 NBH HBH SING N N 69 1T8 CA HA SING N N 70 1T8 CB HB SING N N 71 1T8 N H SING N N 72 1T8 CG1 HG11 SING N N 73 1T8 CG1 HG12 SING N N 74 1T8 CG1 HG13 SING N N 75 1T8 CG2 HG21 SING N N 76 1T8 CG2 HG22 SING N N 77 1T8 CG2 HG23 SING N N 78 1T8 OAK HAK SING N N 79 1T8 CBD HBD1 SING N N 80 1T8 CBD HBD2 SING N N 81 1T8 CBA HBA1 SING N N 82 1T8 CBA HBA2 SING N N 83 1T8 CBC HBC1 SING N N 84 1T8 CBC HBC2 SING N N 85 1T8 NBK HBK SING N N 86 1T8 CBE HBE1 SING N N 87 1T8 CBE HBE2 SING N N 88 1T8 CBX HBX SING N N 89 1T8 NBI HBI SING N N 90 1T8 CAD HAD1 SING N N 91 1T8 CAD HAD2 SING N N 92 1T8 CAD HAD3 SING N N 93 1T8 CAE HAE1 SING N N 94 1T8 CAE HAE2 SING N N 95 1T8 CAE HAE3 SING N N 96 1T8 CAF HAF1 SING N N 97 1T8 CAF HAF2 SING N N 98 1T8 CAF HAF3 SING N N 99 1T8 CAA HAA1 SING N N 100 1T8 CAA HAA2 SING N N 101 1T8 CAA HAA3 SING N N 102 1T8 CAW HAW SING N N 103 1T8 CAV HAV SING N N 104 1T8 CAY HAY SING N N 105 1T8 CAX HAX SING N N 106 1T8 CAQ HAQ SING N N 107 1T8 CAP HAP SING N N 108 1T8 CAO HAO SING N N 109 1T8 CAN HAN SING N N 110 # 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 1T8 SMILES ACDLabs 12.01 "O=C(OC)NC(C(=O)NN(Cc2ccc(c1cccnc1)cc2)CCCC4(O)C(=O)NC(C(=O)NCC=CCc3ccc(cc3)C4)C(C)C)C(C)(C)C" 1T8 InChI InChI 1.03 ;InChI=1S/C41H54N6O6/c1-28(2)34-36(48)43-23-8-7-11-29-13-15-30(16-14-29)25-41(52,38(50)44-34)21-10-24-47(46-37(49)35(40(3,4)5)45-39(51)53-6)27-31-17-19-32(20-18-31)33-12-9-22-42-26-33/h7-9,12-20,22,26,28,34-35,52H,10-11,21,23-25,27H2,1-6H3,(H,43,48)(H,44,50)(H,45,51)(H,46,49)/b8-7-/t34-,35+,41+/m0/s1 ; 1T8 InChIKey InChI 1.03 NKAIBDUEJMTLGH-UGLCWRDGSA-N 1T8 SMILES_CANONICAL CACTVS 3.385 "COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(O)Cc2ccc(C\C=C/CNC(=O)[C@@H](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4cccnc4)C(C)(C)C" 1T8 SMILES CACTVS 3.385 "COC(=O)N[CH](C(=O)NN(CCC[C]1(O)Cc2ccc(CC=CCNC(=O)[CH](NC1=O)C(C)C)cc2)Cc3ccc(cc3)c4cccnc4)C(C)(C)C" 1T8 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC(C)[C@H]1C(=O)NC/C=C\Cc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O" 1T8 SMILES "OpenEye OEToolkits" 1.7.6 "CC(C)C1C(=O)NCC=CCc2ccc(cc2)CC(C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)C(C(C)(C)C)NC(=O)OC)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 1T8 "SYSTEMATIC NAME" ACDLabs 12.01 "methyl [(2S)-1-(2-{3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-(propan-2-yl)-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}-2-[4-(pyridin-3-yl)benzyl]hydrazinyl)-3,3-dimethyl-1-oxobutan-2-yl]carbamate" 1T8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "methyl N-[(2S)-3,3-dimethyl-1-[2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]-2-[(4-pyridin-3-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 1T8 "Create component" 2014-02-08 EBI 1T8 "Initial release" 2014-12-17 RCSB #