60190035 -OEChem-05221302392D 64 68 0 1 0 0 0 0 0999 V2000 7.2626 -2.5171 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2626 -2.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 -2.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 2.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8094 3.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4503 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6402 1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 2.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8481 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0881 3.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -3.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -4.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8186 -4.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4386 -3.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 0.3833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 -0.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4546 0.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 4.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 3.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 3.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 4 22 1 0 0 0 0 4 55 1 0 0 0 0 5 24 2 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 7 12 1 0 0 0 0 7 31 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 10 43 1 0 0 0 0 11 24 1 0 0 0 0 11 30 1 0 0 0 0 11 54 1 0 0 0 0 12 32 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 27 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > 60190035 > 1 > 909 > 8 > 3 > 5 > AAADceB7uABAAAAAAAAAAAAAAABYAWLAAAA8QAAAAAAAAFgB/AAAHgQUSAAADizl3gazxvPZlgKpA6RyVnDCiCAlMiAomSG/fNqOdvrE8buUcahu1pvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-N-(3,5-dimethylisoxazol-4-yl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(3,5-dimethyl-4-isoxazolyl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(3,5-dimethylisoxazol-4-yl)-1'-esyl-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-$b-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C23H29N5O6S/c1-5-35(31,32)27-10-23(11-27)12-28(22(30)25-20-13(2)26-34-14(20)3)18(9-29)21-19(23)16-7-6-15(33-4)8-17(16)24-21/h6-8,18,24,29H,5,9-12H2,1-4H3,(H,25,30)/t18-/m0/s1 > DXDVJROCPRKFRC-SFHVURJKSA-N > 0.6 > 503.183855 > C23H29N5O6S > 503.57126 > CCS(=O)(=O)N1CC2(C1)CN(C(C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)NC5=C(ON=C5C)C > CCS(=O)(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)NC5=C(ON=C5C)C > 149 > 503.183855 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 10 18 8 10 21 8 12 32 8 17 18 8 17 20 8 19 22 6 20 21 8 20 25 8 21 26 8 25 28 8 26 29 8 28 29 8 30 31 8 30 32 8 7 12 8 7 31 8 $$$$