60193901 -OEChem-04272400082D 66 71 0 1 0 0 0 0 0999 V2000 8.1286 4.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -2.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.3971 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2626 -0.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.0171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 0.1900 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 9.8606 2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9946 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8607 2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 3.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -3.5171 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 2.0000 -0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -5.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 0.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 0.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0211 2.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 1.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 1.1326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 4.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 4.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 3.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -1.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 5.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 -3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -4.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 -4.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -5.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 58 1 0 0 0 0 2 22 2 0 0 0 0 3 27 1 0 0 0 0 3 31 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 28 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 1 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 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 49 1 0 0 0 0 21 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 27 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 30 33 2 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 60193901 > 1 > 748 > 4 > 2 > 5 > AAADcfB7sAAAAAAAAAAAAAAAGABYAWAAAAA8YIAAAAAAAFgB9AAAHgAQCAAADyzhngYzxvPMFgCoAyRiVACCiCAhIiAI2CA+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-phenyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1-methylol-N-phenyl-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-carboxamide > InChI=1S/C27H32N4O3/c1-29-22-12-20(34-2)10-11-21(22)24-25(29)23(14-32)30(13-18-8-9-18)15-27(24)16-31(17-27)26(33)28-19-6-4-3-5-7-19/h3-7,10-12,18,23,32H,8-9,13-17H2,1-2H3,(H,28,33)/t23-/m1/s1 > MLHHFKCNFPTCBQ-HSZRJFAPSA-N > 2.4 > 460.24744090 > C27H32N4O3 > 460.6 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)NC5=CC=CC=C5)CC6CC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)NC5=CC=CC=C5)CC6CC6)CO > 70 > 460.24744090 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 8 12 19 8 14 21 5 19 20 8 19 23 8 20 25 8 23 26 8 25 27 8 26 27 8 28 29 8 28 30 8 29 32 8 30 33 8 32 34 8 33 34 8 6 16 8 6 20 8 $$$$