60192490 -OEChem-05142408222D 65 69 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 13.3248 1.3971 0.0000 F 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 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 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 6.3966 0.3971 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 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 5.1397 2.6524 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 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 8.1286 -4.0171 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 11.5927 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.8971 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 12.4587 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 2.8971 0.0000 C 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 8.4081 -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 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 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 5.7290 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.4598 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 3.7635 -1.5420 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 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 11.5927 0.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1897 3.2071 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 11.5927 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9957 3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 34 1 0 0 0 0 5 21 1 0 0 0 0 5 58 1 0 0 0 0 6 23 2 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 23 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 25 1 0 0 0 0 11 23 1 0 0 0 0 11 30 1 0 0 0 0 11 57 1 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 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 29 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 24 27 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 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 31 59 1 0 0 0 0 32 35 2 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 M END > 60192490 > 1 > 926 > 7 > 2 > 5 > AAADceB7uQBAAAAAAAAAAAAAAABYAWAAAAA8YIAAAAAAAFgB9AAAHwQQSAAADizl3g6zxvPMFgKoAyRiVHDCiCAhIiAI2CA+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-1'-ethylsulfonyl-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-ethylsulfonyl-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1R)-1'-ethylsulfonyl-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-ethylsulfonyl-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-ethylsulfonyl-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-esyl-N-(3-fluorophenyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C25H29FN4O5S/c1-4-36(33,34)29-13-25(14-29)15-30(24(32)27-17-7-5-6-16(26)10-17)21(12-31)23-22(25)19-9-8-18(35-3)11-20(19)28(23)2/h5-11,21,31H,4,12-15H2,1-3H3,(H,27,32)/t21-/m0/s1 > HMMXUOQKVTYHAL-NRFANRHFSA-N > 1.4 > 516.18426937 > C25H29FN4O5S > 516.6 > CCS(=O)(=O)N1CC2(C1)CN(C(C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)NC5=CC(=CC=C5)F > CCS(=O)(=O)N1CC2(C1)CN([C@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)NC5=CC(=CC=C5)F > 113 > 516.18426937 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 8 10 20 8 15 17 8 15 19 8 18 21 6 19 20 8 19 24 8 20 26 8 24 27 8 26 28 8 27 28 8 30 31 8 30 32 8 31 34 8 32 35 8 34 36 8 35 36 8 $$$$