60194066 -OEChem-05191319322D 66 71 0 1 0 0 0 0 0999 V2000 6.3966 -3.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.6848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4503 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7267 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2267 2.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -2.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 -3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 -2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 2.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 0.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 0.9051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7016 3.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 3.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8343 1.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 2.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7886 -4.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -4.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 -2.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 -2.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5138 -4.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -3.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.8279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 19 2 0 0 0 0 3 26 1 0 0 0 0 3 63 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 29 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 26 1 1 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 42 1 0 0 0 0 19 21 1 0 0 0 0 20 30 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 2 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 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > 60194066 > 1 > 790 > 4 > 1 > 5 > AAADcfB7OAAAAAAAAAAAAAAAGAB4gWAAAAA8QAAAAAAAAFgB8AAAHgAACAAADyzhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLE8ZuUcChmxhnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1S)-1'-(cyclobutanecarbonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-cyclopropyl-ethanone > 1-[(1S)-1'-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-cyclopropylethanone > 1-[(1S)-1'-(cyclobutanecarbonyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-cyclopropylethanone > 1-[(1S)-1'-cyclobutylcarbonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]-2-cyclopropyl-ethanone > 1-[(1S)-1'-(cyclobutanecarbonyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-$b-carboline-4,3'-azetidine]-2-yl]-2-cyclopropyl-ethanone > InChI=1S/C26H33N3O4/c1-27-20-11-18(33-2)8-9-19(20)23-24(27)21(12-30)29(22(31)10-16-6-7-16)15-26(23)13-28(14-26)25(32)17-4-3-5-17/h8-9,11,16-17,21,30H,3-7,10,12-15H2,1-2H3/t21-/m1/s1 > PKWHZNRMBNKZKL-OAQYLSRUSA-N > 1.8 > 451.247107 > C26H33N3O4 > 451.55792 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)C5CCC5)C(=O)CC6CC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)C5CCC5)C(=O)CC6CC6)CO > 75 > 451.247107 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 12 13 8 12 15 8 14 26 5 15 20 8 15 28 8 20 30 8 28 31 8 30 32 8 31 32 8 7 13 8 7 20 8 $$$$