60190087 -OEChem-04162402242D 76 81 0 1 0 0 0 0 0999 V2000 8.1286 4.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -2.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -4.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 2.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.7477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.1665 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 2.4713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.2477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -4.7865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.6665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 -3.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9376 -3.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3685 -3.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -3.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 -0.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3248 2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 0.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 0.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.9765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 3.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 3.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 3.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 4.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -1.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 0.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 0.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.1238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5601 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -3.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 -4.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0803 -4.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4783 -3.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 -2.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2827 -1.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 -1.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9027 -0.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0148 1.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8617 1.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6348 2.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 58 1 0 0 0 0 2 23 2 0 0 0 0 3 28 1 0 0 0 0 3 37 1 0 0 0 0 4 11 1 0 0 0 0 4 34 1 0 0 0 0 5 32 1 0 0 0 0 5 40 1 0 0 0 0 6 33 1 0 0 0 0 6 41 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 23 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 49 1 0 0 0 0 10 23 1 0 0 0 0 10 31 1 0 0 0 0 10 56 1 0 0 0 0 11 35 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 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 1 0 0 0 17 48 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 25 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 25 28 2 0 0 0 0 25 55 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 29 33 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 36 2 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 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 M END > 60190087 > 1 > 910 > 8 > 3 > 7 > AAADcfB7uAAAAAAAAAAAAAAAAABYAWLAAAA8YIAAAAAAAFgB/AAAHgAUCAAADizhngYzxvPZlgCpA6RyVgCCiCAlMiAomSG/fNqOd/rE8buUcahv1p/Y6Wew8P8PoAABCgACAABAAAIUAAQAAAAAAAAAAA== > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-[(3,5-dimethoxyphenyl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(3,5-dimethoxybenzyl)-N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-1'-carboxamide > InChI=1S/C30H35N5O6/c1-17-27(18(2)41-33-17)32-29(37)35-15-30(16-35)14-34(12-19-8-21(39-4)10-22(9-19)40-5)25(13-36)28-26(30)23-7-6-20(38-3)11-24(23)31-28/h6-11,25,31,36H,12-16H2,1-5H3,(H,32,37)/t25-/m1/s1 > JYXKBTOWIVBRMW-RUZDIDTESA-N > 2.4 > 561.25873385 > C30H35N5O6 > 561.6 > CC1=C(C(=NO1)C)NC(=O)N2CC3(C2)CN(C(C4=C3C5=C(N4)C=C(C=C5)OC)CO)CC6=CC(=CC(=C6)OC)OC > CC1=C(C(=NO1)C)NC(=O)N2CC3(C2)CN([C@@H](C4=C3C5=C(N4)C=C(C=C5)OC)CO)CC6=CC(=CC(=C6)OC)OC > 125 > 561.25873385 > 0 > 41 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 35 8 16 18 8 16 19 8 17 22 5 19 21 8 19 24 8 21 25 8 24 27 8 25 28 8 26 29 8 26 30 8 27 28 8 29 33 8 30 32 8 31 34 8 31 35 8 32 36 8 33 36 8 4 11 8 4 34 8 9 18 8 9 21 8 $$$$