60194072 -OEChem-04192416552D 66 71 0 1 0 0 0 0 0999 V2000 9.9652 0.6784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.6730 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2626 -1.8270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.9777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 2.0797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.1730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1286 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 -4.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -3.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 -4.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 0.4705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.7806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 -2.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7886 -4.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -4.8918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 -2.9078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 -2.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5138 -4.6330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -3.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.5876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1955 -0.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 1.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 32 1 0 0 0 0 2 20 2 0 0 0 0 3 25 1 0 0 0 0 3 61 1 0 0 0 0 4 31 1 0 0 0 0 4 34 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 22 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 7 47 1 0 0 0 0 8 29 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 16 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 1 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 18 21 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 46 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 60194072 > 1 > 744 > 6 > 2 > 5 > AAADcfB7sABAAAAAAAAAAAAAAABgAWLAAAA8WIAAAAAAAFgB/AAAHgQQCAAADyzl3ga+x/PJlgisAzV3VACC+KBxKjhI2S0+bJgOdvLEsZuUcChm1hn46AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclobutyl-[(1S)-7-methoxy-1-methylol-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-yl]methanone > InChI=1S/C26H32N4O3S/c1-33-18-5-6-19-20(13-18)28-24-21(15-31)30(14-22-27-9-12-34-22)16-26(23(19)24)7-10-29(11-8-26)25(32)17-3-2-4-17/h5-6,9,12-13,17,21,28,31H,2-4,7-8,10-11,14-16H2,1H3/t21-/m1/s1 > IKVGCXWVLSIXCF-OAQYLSRUSA-N > 2.6 > 480.21951207 > C26H32N4O3S > 480.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)C(=O)C5CCC5)CC6=NC=CS6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)C5CCC5)CC6=NC=CS6)CO > 110 > 480.21951207 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 29 8 1 32 8 13 17 8 13 18 8 14 25 5 18 21 8 18 27 8 21 28 8 27 30 8 28 31 8 30 31 8 32 33 8 7 17 8 7 21 8 8 29 8 8 33 8 $$$$