60190078 -OEChem-04252413092D 85 90 0 1 0 0 0 0 0999 V2000 8.1286 4.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 2.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -5.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.4594 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2626 -1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.5406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -5.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.9594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 3.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 -4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9376 -4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3685 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3248 2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 3.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 4.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 4.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 3.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -2.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5601 -3.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -3.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0803 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4783 -3.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 -3.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0148 1.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8617 2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6348 2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2827 -1.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 -0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 -0.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 66 1 0 0 0 0 2 28 2 0 0 0 0 3 31 1 0 0 0 0 3 38 1 0 0 0 0 4 34 1 0 0 0 0 4 43 1 0 0 0 0 5 35 1 0 0 0 0 5 44 1 0 0 0 0 6 11 1 0 0 0 0 6 39 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 28 1 0 0 0 0 9 17 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 36 1 0 0 0 0 10 67 1 0 0 0 0 11 40 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 18 24 1 1 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 23 29 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 30 2 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 31 2 0 0 0 0 27 64 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 32 35 1 0 0 0 0 32 68 1 0 0 0 0 33 34 2 0 0 0 0 33 69 1 0 0 0 0 34 37 1 0 0 0 0 35 37 2 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 M END > 60190078 > 1 > 970 > 8 > 2 > 7 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLAAAA8eIEAAAAAAFgB/AAAHgAUCAAADizhngYzxvPcFgCpA6RyVgCCiCAlMiAo2CG/fNqOd/rEsbuUcahvxp/Y6Wew8P8PoAABCgACAABAAAIUAAQAAAAAAAAAAA== > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1S)-2-(3,5-dimethoxybenzyl)-N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-1'-carboxamide > InChI=1S/C33H41N5O6/c1-20-30(21(2)44-35-20)34-32(40)37-11-9-33(10-12-37)19-38(17-22-13-24(42-5)15-25(14-22)43-6)28(18-39)31-29(33)26-8-7-23(41-4)16-27(26)36(31)3/h7-8,13-16,28,39H,9-12,17-19H2,1-6H3,(H,34,40)/t28-/m1/s1 > AXFMTINWSJJMCX-MUUNZHRXSA-N > 3.1 > 603.30568404 > C33H41N5O6 > 603.7 > CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN(C(C4=C3C5=C(N4C)C=C(C=C5)OC)CO)CC6=CC(=CC(=C6)OC)OC > CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN([C@@H](C4=C3C5=C(N4C)C=C(C=C5)OC)CO)CC6=CC(=CC(=C6)OC)OC > 115 > 603.30568404 > 0 > 44 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 40 8 14 17 8 14 21 8 18 24 5 21 22 8 21 25 8 22 27 8 25 30 8 27 31 8 29 32 8 29 33 8 30 31 8 32 35 8 33 34 8 34 37 8 35 37 8 36 39 8 36 40 8 6 11 8 6 39 8 9 17 8 9 22 8 $$$$