3035433 -OEChem-04192401472D 69 75 0 1 0 0 0 0 0999 V2000 6.8411 1.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9693 0.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 2.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 -2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 1.1860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5159 -0.2210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 1.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -0.8128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6536 -0.9523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3946 0.7657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7145 1.4987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4914 -0.4122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2015 2.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9814 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1826 2.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9762 0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 0.5960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9118 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 3.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9077 -1.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8799 2.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5289 4.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5509 3.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3281 -2.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4833 -0.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 1.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -1.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5837 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6452 -2.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -1.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4895 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5475 -3.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4168 -3.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4392 -4.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6238 0.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1087 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9043 0.2034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 1.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0621 -0.6435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2113 1.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 -1.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9642 -1.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8318 2.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 3.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 -1.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4868 2.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3367 1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3262 4.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9606 4.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7655 -2.5772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5887 -2.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8906 -2.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9903 -0.9484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8402 -0.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9764 -0.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -1.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 1.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 -2.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9858 -3.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -1.2232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4082 0.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 -4.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3905 -4.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 49 1 0 0 0 0 2 16 2 0 0 0 0 3 27 2 0 0 0 0 4 30 2 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 45 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 7 53 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 8 30 1 0 0 0 0 9 22 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 1 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 6 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 17 14 1 1 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 21 2 0 0 0 0 17 22 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 19 50 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 34 2 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 33 62 1 0 0 0 0 34 38 1 0 0 0 0 34 63 1 0 0 0 0 35 39 1 0 0 0 0 35 64 1 0 0 0 0 36 40 1 0 0 0 0 36 65 1 0 0 0 0 37 38 2 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 39 40 2 0 0 0 0 39 68 1 0 0 0 0 40 69 1 0 0 0 0 M END > 3035433 > 1 > 1090 > 6 > 3 > 4 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLAAAAwYMEABYAWAFiBUAAAHgAQCAAADWzBmAQzwIPAAgCoAidydACCAAElAgAJiIG4bMiKZjrA3bGUcYhu1wPY2ee4yOCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-isobutyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione > (7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione > (7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione > (7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione > (7S)-7-[[(2S,3aS,4S)-2-(2-methylpropyl)-4-oxidanyl-1-oxidanylidene-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione > (7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-isobutyl-1-keto-3,3a-dihydro-2H-imidaz[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-quinone > InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1 > MGMRIOLWEROPJY-FPACPZPDSA-N > 3 > 535.22195442 > C31H29N5O4 > 535.6 > CC(C)CC1C(=O)N2C(N1)C(C3=CC=CC=C32)(CC4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O > CC(C)C[C@H]1C(=O)N2[C@H](N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O > 114 > 535.22195442 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 10 41 5 12 18 6 13 15 8 13 19 8 17 14 5 15 21 8 19 23 8 21 24 8 23 24 8 28 29 8 28 33 8 29 34 8 30 32 8 31 32 8 31 35 8 32 36 8 33 37 8 34 38 8 35 39 8 36 40 8 37 38 8 39 40 8 8 22 8 8 30 8 9 22 8 9 31 8 $$$$