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0 0 4.5284 4.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 -0.8548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0856 -1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9335 3.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 -0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -2.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -3.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5182 4.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 -3.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -3.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3489 -0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7494 -0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -4.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 -3.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3456 -4.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5131 4.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 5.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9797 -5.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0776 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 3.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 3.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 4.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 5.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6888 6.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4611 -2.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 5.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -1.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 -1.1679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -1.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 -2.4817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 1.3492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 3.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 3.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 0.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7415 0.9539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 -2.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9397 -1.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 3.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1838 1.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 1.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5428 -0.7786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9378 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0532 -0.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2899 -0.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4457 0.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5523 -3.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9634 -4.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1300 4.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5756 5.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 5.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8536 5.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5425 5.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1517 -5.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 -6.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 -5.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 12 2 1 6 0 0 0 2 64 1 0 0 0 0 3 17 2 0 0 0 0 4 21 2 0 0 0 0 5 29 2 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 13 8 1 6 0 0 0 8 29 1 0 0 0 0 8 61 1 0 0 0 0 9 20 1 0 0 0 0 9 26 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 38 1 0 0 0 0 10 83 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 43 1 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 21 1 0 0 0 0 14 25 1 6 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 18 28 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 27 1 0 0 0 0 20 52 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 29 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 24 56 1 0 0 0 0 25 30 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 27 32 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 31 2 0 0 0 0 28 37 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 32 38 2 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 41 2 0 0 0 0 37 42 2 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 M END > 44272237 > 1 > 1130 > 6 > 3 > 5 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLFgAA8eIEAAAAAAFjx8AAAHgAQCAAADSzBngQ+yPPJlgCoAzV3VAKCgCAxAiAI2aH4ZJkaYPrA0bWfYAhklgDcyAeYmcKegAAAQAASAACQAASAACQAAAAAAAAAAA== > N-[(2S,4R,7S)-2-hydroxy-7-isobutyl-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > N-[(2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > N-[(2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > N-[(2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > 7-methyl-N-[(2S,4R,7S)-7-(2-methylpropyl)-2-oxidanyl-5,8-bis(oxidanylidene)-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > N-[(2S,4R,7S)-2-hydroxy-7-isobutyl-4-isopropyl-5,8-diketo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide > InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20?,22?,24?,25-,26?,31+,32-/m0/s1 > PBUNVLRHZGSROC-ACVFXLHMSA-N > 3.1 > 577.32641949 > C32H43N5O5 > 577.7 > CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O > CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O > 118 > 577.32641949 > 0 > 42 > 3 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 36 8 10 38 8 11 15 3 14 25 6 18 23 3 12 2 6 20 27 3 22 29 3 28 31 8 28 37 8 31 32 8 31 36 8 32 38 8 36 41 8 37 42 8 41 42 8 13 8 6 $$$$