54664542 -OEChem-04242401052D 65 69 0 1 0 0 0 0 0999 V2000 9.2899 -0.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -4.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 -4.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 1.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 3.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -2.7367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0169 -0.2533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -3.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -1.2043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5169 -1.7921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1287 -1.7907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8207 -2.7359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0169 -0.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0803 -1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2402 -3.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -3.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 -3.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4694 -4.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6148 -2.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 -3.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 -1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 0.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9908 -4.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8097 -2.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 2.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 2.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 4.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0143 -0.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8299 -2.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -2.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 -3.2884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 -0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9521 0.3633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1655 -2.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 -1.5061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 -4.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 -4.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 -4.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -2.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 -2.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 -2.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3576 -3.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -2.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 -0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8798 -0.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4892 -4.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3552 -4.7510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4923 -3.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3761 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0619 -1.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 -2.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 2.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 0.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 1.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 4.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 4.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4757 4.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 52 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 23 2 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 23 1 0 0 0 0 8 18 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 35 1 1 0 0 0 10 14 1 0 0 0 0 10 36 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 37 1 0 0 0 0 12 18 1 6 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 22 2 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 51 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > 54664542 > 1 > 923 > 5 > 1 > 5 > AAADceB7OAAAAAAAAAAAAAAAAABgAWLAAAAwQAAAAAAWAEABAAAAHgAACAAADSzhmAYyBoMABgCIAiVSUACCCAAgIgAIiAGOCMgMdjKE9TuUcCAmxhGIqYe63bLegAABAAAAAAAAAAIAAAAAAAAAAAAAAA== > (2R,3R,3aS,9bS)-1-(cyclobutanecarbonyl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclobutanecarbonyl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclobutanecarbonyl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-cyclobutylcarbonyl-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxidanylidene-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclobutanecarbonyl)-6-keto-7-(3-methoxyphenyl)-N,N-dimethyl-3-methylol-3,3a,4,9b-tetrahydro-2H-pyrrol[2,3-a]indolizine-2-carboxamide > InChI=1S/C26H31N3O5/c1-27(2)26(33)23-20(14-30)19-13-28-21(22(19)29(23)24(31)15-6-4-7-15)11-10-18(25(28)32)16-8-5-9-17(12-16)34-3/h5,8-12,15,19-20,22-23,30H,4,6-7,13-14H2,1-3H3/t19-,20-,22+,23-/m1/s1 > LBRHMRARHXFQQE-YXPKMTABSA-N > 1.3 > 465.22637110 > C26H31N3O5 > 465.5 > CN(C)C(=O)C1C(C2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)C2N1C(=O)C5CCC5)CO > CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)OC)[C@H]2N1C(=O)C5CCC5)CO > 90.4 > 465.22637110 > 0 > 34 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 36 5 11 15 5 12 18 6 14 22 8 22 25 8 23 24 8 24 25 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 7 14 8 7 23 8 9 35 5 $$$$