Marvin 02221110112D 51 53 0 0 0 0 999 V2000 -4.6875 -1.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9730 -2.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 -1.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -3.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 -2.3812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 -1.9687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 -2.3812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3151 -1.9687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4585 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 -1.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 -2.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0296 -3.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 -1.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 -1.9687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8296 -1.9687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6006 -2.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3138 -2.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0283 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -3.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 -3.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 -4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7427 -4.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -4.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -1.9687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 0.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1717 0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -0.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -0.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3151 0.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 2.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3151 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 0.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7440 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 0.5313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -3.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 -1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5441 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8296 -0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8861 -3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -4.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 8 19 1 0 0 0 0 19 6 1 0 0 0 0 6 9 1 0 0 0 0 9 21 1 0 0 0 0 21 18 1 0 0 0 0 18 2 1 0 0 0 0 2 30 1 0 0 0 0 30 10 1 0 0 0 0 10 16 1 0 0 0 0 16 20 1 0 0 0 0 4 5 2 0 0 0 0 6 7 2 0 0 0 0 20 11 1 0 0 0 0 11 14 1 0 0 0 0 14 13 1 0 0 0 0 13 12 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 18 22 1 1 0 0 0 21 23 1 6 0 0 0 23 24 1 0 0 0 0 25 24 2 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 34 32 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 37 2 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 40 38 2 0 0 0 0 38 43 1 0 0 0 0 39 40 1 0 0 0 0 39 42 2 0 0 0 0 43 41 2 0 0 0 0 41 42 1 0 0 0 0 20 44 1 1 0 0 0 19 45 1 1 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 44 49 1 0 0 0 0 44 50 1 0 0 0 0 44 51 1 0 0 0 0 M END > CHEBI:37924 > atazanavir > A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). > 3 > ATZ > dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate > atazanavirum; atazanavir > Zrivada; Latazanavir > C38H52N6O7 > 704.85550 > 704.38975 > 0 > COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C > InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 > AXRYRYVKAWYZBR-GASGPIRDSA-N > 198904-31-3 > 8101951 > 198904-31-3 > DB01072 > D07471 > Atazanavir > 15156449; 15353575; 15645003; 15737947; 17376023; 17619250; 18389089; 24108452; 24314017; 25017682 $$$$