54664571 -OEChem-04262413142D 63 67 0 1 0 0 0 0 0999 V2000 10.6224 0.5688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3342 -3.3841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 2.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 4.3800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 -1.6624 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3495 0.8211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7355 -2.3660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6585 -0.1300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8495 -0.7178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4612 -0.7164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1532 -1.6615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9810 -3.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5727 -2.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3495 0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8782 -4.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 -3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4128 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -2.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -0.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6645 1.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 0.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1422 -1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 2.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 3.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 2.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 3.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3468 0.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1624 -1.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -1.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 -2.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3688 -3.4833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 -2.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0593 -2.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9559 0.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2847 1.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2598 -4.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0293 -4.9813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1387 -4.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 -3.5402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 -1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 -0.4317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8403 -0.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 0.2752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2124 0.7593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 -3.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6877 -3.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8249 -2.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7086 -1.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3944 -0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5758 -1.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 1.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8974 3.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 2.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 4.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 4.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 4.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 3.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 50 1 0 0 0 0 2 19 2 0 0 0 0 3 21 2 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 1 0 0 0 9 15 1 0 0 0 0 9 34 1 1 0 0 0 10 11 1 0 0 0 0 10 18 1 1 0 0 0 10 35 1 0 0 0 0 11 19 1 6 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 49 1 0 0 0 0 24 51 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 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 28 58 1 0 0 0 0 29 31 2 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 54664571 > 1 > 825 > 5 > 1 > 6 > AAADceB7OAAAAAAAAAAAAAAAGAAAAWLAAAAwQAAAAAAWAEABAAAAHgAACAAADSzhmAYyBoMABgCIAiVSUACCCAAgIgAIiAGOCMgMdjKE9TuUcCAmxhGIqYe62YKeoAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-N,N-dimethyl-6-oxidanylidene-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-6-keto-7-(4-methoxyphenyl)-N,N-dimethyl-3-methylol-3,3a,4,9b-tetrahydro-2H-pyrrol[2,3-a]indolizine-2-carboxamide > InChI=1S/C25H31N3O4/c1-26(2)25(31)23-20(14-29)19-13-27-21(22(19)28(23)12-15-4-5-15)11-10-18(24(27)30)16-6-8-17(32-3)9-7-16/h6-11,15,19-20,22-23,29H,4-5,12-14H2,1-3H3/t19-,20-,22+,23-/m1/s1 > KNXNXAMXENKPEP-YXPKMTABSA-N > 1.6 > 437.23145648 > C25H31N3O4 > 437.5 > CN(C)C(=O)C1C(C2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)C2N1CC5CC5)CO > CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@H]2N1CC5CC5)CO > 73.3 > 437.23145648 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 5 11 19 6 15 20 8 20 23 8 21 22 8 22 23 8 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 6 15 8 6 21 8 8 33 5 9 34 5 $$$$