10531 -OEChem-04252402372D 80 87 0 1 0 0 0 0 0999 V2000 4.3933 0.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 1.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5851 4.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8554 1.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 1.9754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.1448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 -1.6251 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2345 -0.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8945 -5.8153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 2.1498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2830 1.5652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0244 -3.1666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8904 -2.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4996 1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 2.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3666 0.3751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1063 -1.6182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1144 -2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 3.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 3.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -3.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2076 3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -1.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8904 -4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7564 -4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7782 -1.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9064 -5.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -4.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3743 -4.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 4.3755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0084 -6.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1063 -5.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2203 4.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 4.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3210 5.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 5.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5097 6.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 2.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -3.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 -2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 1.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5712 -1.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 -2.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 -3.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9685 4.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 3.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4997 2.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4094 -0.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6111 -0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3670 -3.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 -2.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7703 0.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3599 2.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 3.4262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 -0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 -1.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 -0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3086 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 -1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 -0.8314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4744 -0.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -4.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9922 -4.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1805 -6.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 -6.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -6.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7233 4.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9316 4.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8864 6.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0947 6.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 6.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 12 2 1 6 0 0 0 2 67 1 0 0 0 0 3 22 2 0 0 0 0 4 23 2 0 0 0 0 5 28 2 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 8 32 1 0 0 0 0 17 9 1 6 0 0 0 9 28 1 0 0 0 0 9 61 1 0 0 0 0 10 33 1 0 0 0 0 10 35 1 0 0 0 0 10 73 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 1 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 13 45 1 6 0 0 0 14 25 1 0 0 0 0 14 46 1 1 0 0 0 15 21 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 22 1 0 0 0 0 16 27 1 6 0 0 0 16 49 1 0 0 0 0 17 23 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 28 1 1 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 30 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 29 2 0 0 0 0 26 34 1 0 0 0 0 27 36 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 35 2 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 33 37 2 0 0 0 0 34 38 2 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 39 41 1 0 0 0 0 39 76 1 0 0 0 0 40 42 2 0 0 0 0 40 77 1 0 0 0 0 41 43 2 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 M END > 10531 > 1 > 1160 > 6 > 3 > 4 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLFgAA8eMECAAAAAFjx9AAAHgAQCAAADSzBngQ+yPPJlgCoAzV3VAKCgCAxAiAI2aH4ZJkaYPrA0bWfYAhklgDcyAeYmcKegAAAQAASAACQAASAACQAAAAAAAAAAA== > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-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 > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-5,8-dioxo-7-(phenylmethyl)-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 > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-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 > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-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 > (6aR,9R,10aR)-7-methyl-N-[(1S,2S,4R,7S)-4-methyl-2-oxidanyl-5,8-bis(oxidanylidene)-7-(phenylmethyl)-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 > (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-diketo-4-methyl-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/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1 > LUZRJRNZXALNLM-JGRZULCMSA-N > 2.4 > 583.27946930 > C33H37N5O5 > 583.7 > CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C > C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C > 118 > 583.27946930 > 0 > 43 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 33 8 10 35 8 11 44 5 13 45 6 14 46 5 16 27 6 18 28 5 12 2 6 26 29 8 26 34 8 29 30 8 29 33 8 30 35 8 33 37 8 34 38 8 36 39 8 36 40 8 37 38 8 39 41 8 40 42 8 41 43 8 42 43 8 17 9 6 $$$$