60186694 -OEChem-04192420022D 66 71 0 1 0 0 0 0 0999 V2000 7.4355 -1.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 4.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 -1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 2.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 2.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 2.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 2.6471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6232 0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2159 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -4.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 4.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 0.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9724 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 3.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0461 3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 -0.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 2.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 1.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -4.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -4.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -5.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 1.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 1.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 0.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1686 2.3371 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 24 1 0 0 0 0 2 39 1 0 0 0 0 5 21 1 0 0 0 0 5 54 1 0 0 0 0 6 22 2 0 0 0 0 7 27 1 0 0 0 0 7 36 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 47 1 0 0 0 0 11 22 1 0 0 0 0 11 30 1 0 0 0 0 11 53 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 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 6 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 26 2 0 0 0 0 23 50 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 28 31 1 0 0 0 0 28 55 1 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 37 1 0 0 0 0 34 60 1 0 0 0 0 35 38 2 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 39 2 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 66 1 0 0 0 0 M END > 60186694 > 1 > 990 > 7 > 3 > 5 > AAADceB7uQBAAAAAAAAAAAAAAABYAWAAAAA8YMEAAAAAAFgB9AAAHwQQSAAADizh3g4zx/PJlgKoAyRiVHDCiDAhIiAImTg+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-1'-(benzenesulfonyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(benzenesulfonyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1R)-1'-(benzenesulfonyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(benzenesulfonyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(phenylsulfonyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-besyl-N-(4-fluorophenyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C28H27FN4O5S/c1-38-20-11-12-22-23(13-20)31-26-24(14-34)33(27(35)30-19-9-7-18(29)8-10-19)17-28(25(22)26)15-32(16-28)39(36,37)21-5-3-2-4-6-21/h2-13,24,31,34H,14-17H2,1H3,(H,30,35)/t24-/m0/s1 > SUGXSJGCSPSENB-DEOSSOPVSA-N > 2.6 > 550.16861931 > C28H27FN4O5S > 550.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)S(=O)(=O)C5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)S(=O)(=O)C5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)F)CO > 123 > 550.16861931 > 0 > 39 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 8 10 20 8 16 17 8 16 19 8 18 21 6 19 20 8 19 23 8 20 25 8 23 26 8 24 28 8 24 29 8 25 27 8 26 27 8 28 31 8 29 32 8 30 34 8 30 35 8 31 33 8 32 33 8 34 37 8 35 38 8 37 39 8 38 39 8 $$$$