72675002 -OEChem-03282409162D 74 79 0 1 0 0 0 0 0999 V2000 6.3966 -2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.9518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.1471 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 1.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -3.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 -4.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2501 0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 0.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 2.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3281 2.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -2.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0727 -2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -4.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -4.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3281 -0.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 -0.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 1.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8048 2.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 1 0 0 0 0 2 67 1 0 0 0 0 3 20 2 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 32 1 0 0 0 0 6 37 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 19 28 1 0 0 0 0 20 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 22 47 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 23 48 1 0 0 0 0 24 31 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 33 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 34 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 32 2 0 0 0 0 28 57 1 0 0 0 0 29 35 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 36 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 M END > 72675002 > 1 > 853 > 6 > 1 > 4 > AAADcfB7OAAAAAAAAAAAAAAAAABYAWAAAAA8SJEAAAAAAFgB8AAAHgAACAAADyzhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLE8ZuWcChmxhnY6Aey0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > [1-(hydroxymethyl)-7-methoxy-9-methyl-2-(tetrahydropyran-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-tetrahydropyran-4-yl-methanone > [1-(hydroxymethyl)-7-methoxy-9-methyl-2-[4-oxanyl(oxo)methyl]-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone > [1-(hydroxymethyl)-7-methoxy-9-methyl-2-(oxane-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-(oxan-4-yl)methanone > [1-(hydroxymethyl)-7-methoxy-9-methyl-2-(oxane-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-(oxan-4-yl)methanone > [1-(hydroxymethyl)-7-methoxy-9-methyl-2-(oxan-4-ylcarbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]-(oxan-4-yl)methanone > [7-methoxy-9-methyl-1-methylol-2-(tetrahydropyran-4-carbonyl)spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-yl]-tetrahydropyran-4-yl-methanone > InChI=1S/C28H37N3O6/c1-29-22-13-20(35-2)3-4-21(22)24-25(29)23(14-32)31(27(34)19-7-11-37-12-8-19)17-28(24)15-30(16-28)26(33)18-5-9-36-10-6-18/h3-4,13,18-19,23,32H,5-12,14-17H2,1-2H3 > ISPHHJCZTBNNOY-UHFFFAOYSA-N > 0.4 > 511.26823591 > C28H37N3O6 > 511.6 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)C5CCOCC5)C(=O)C6CCOCC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)C5CCOCC5)C(=O)C6CCOCC6)CO > 93.5 > 511.26823591 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 8 14 17 8 16 21 3 17 19 8 17 24 8 19 28 8 24 31 8 28 32 8 31 32 8 9 15 8 9 19 8 $$$$