54662117 -OEChem-04242403182D 62 65 0 1 0 0 0 0 0999 V2000 10.6224 0.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3342 -3.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 2.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 4.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 -1.7547 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3495 0.7287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7355 -2.4584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6585 -0.2223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8495 -0.8101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4612 -0.8087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1532 -1.7539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3495 0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4128 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5727 -2.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6645 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 -3.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3946 -4.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 -3.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3178 -3.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 1.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 3.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 2.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 3.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 3.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3468 0.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1624 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -1.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 -2.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9559 0.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2847 1.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 -1.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 -0.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1413 -2.1195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0593 -2.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8403 -1.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -3.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -3.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 0.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9877 -1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2124 0.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8924 -3.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0311 -4.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8969 -4.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7660 -3.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 -3.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3826 -3.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9344 -3.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2530 -2.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 1.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8974 3.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 2.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 4.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 4.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 3.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 47 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 6 0 0 0 9 13 1 0 0 0 0 9 33 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 34 1 0 0 0 0 11 16 1 1 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 2 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 45 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 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 30 1 0 0 0 0 29 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > 54662117 > 1 > 756 > 5 > 2 > 7 > AAADceB7OAAAAAAAAAAAAAAAAAAAAWLAAAAwQAAAAAAWAEABAAAAHgAQCAAADSzhmAYyBoPABgCIAiVSUACCCAAgIgAIiIGOCMgMdjKE9TuUcCAm1hGIqYe62YKeoAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2S,3S,3aR,9bR)-N-ethyl-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2S,3S,3aR,9bR)-N-ethyl-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2S,3S,3aR,9bR)-N-ethyl-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2S,3S,3aR,9bR)-N-ethyl-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxo-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2S,3S,3aR,9bR)-N-ethyl-3-(hydroxymethyl)-7-(4-methoxyphenyl)-6-oxidanylidene-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2S,3S,3aR,9bR)-N-ethyl-6-keto-7-(4-methoxyphenyl)-3-methylol-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrol[2,3-a]indolizine-2-carboxamide > InChI=1S/C24H31N3O4/c1-4-12-26-21-18(19(14-28)22(26)23(29)25-5-2)13-27-20(21)11-10-17(24(27)30)15-6-8-16(31-3)9-7-15/h6-11,18-19,21-22,28H,4-5,12-14H2,1-3H3,(H,25,29)/t18-,19-,21+,22-/m0/s1 > PFRDZNCVIJHBLJ-MPJJRAAHSA-N > 1.9 > 425.23145648 > C24H31N3O4 > 425.5 > CCCN1C2C(CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)C(C1C(=O)NCC)CO > CCCN1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=C(C=C4)OC)[C@@H]([C@H]1C(=O)NCC)CO > 82.1 > 425.23145648 > 0 > 31 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 16 5 13 17 8 17 21 8 18 20 8 20 21 8 24 26 8 24 27 8 26 28 8 27 29 8 28 30 8 29 30 8 6 13 8 6 18 8 8 32 6 9 33 6 $$$$