60188483 -OEChem-04252404472D 62 65 0 1 0 0 0 0 0999 V2000 6.2402 -2.6560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2899 0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0502 -3.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 -2.0696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 -3.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 2.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9368 3.1132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -1.8460 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0169 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -2.5496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -0.3136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5169 -0.9013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1287 -0.8999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8207 -1.8451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0169 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0803 -0.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -3.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9908 -3.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9853 -3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 2.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 1.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5731 -4.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 3.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 3.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 4.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0143 0.1852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8299 -1.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -1.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 -2.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 0.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9521 1.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1655 -1.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 -0.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -1.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1516 -3.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2903 -3.9683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 -3.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 0.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6551 -1.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8798 0.5758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4335 -3.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1616 -3.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5425 -2.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8144 -2.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 1.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0715 -4.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 -4.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0747 -3.6987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 4.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 2.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8996 3.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8384 3.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 4.6520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6606 4.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 48 1 0 0 0 0 5 18 2 0 0 0 0 6 20 2 0 0 0 0 7 27 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 18 1 0 0 0 0 10 24 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 1 0 0 0 12 16 1 0 0 0 0 12 35 1 1 0 0 0 13 14 1 0 0 0 0 13 17 1 1 0 0 0 13 36 1 0 0 0 0 14 18 1 6 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 23 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 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 28 2 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 60188483 > 1 > 956 > 7 > 2 > 7 > AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwQAAAAAAWAEABAAAAHgQQSAAADSzhmAayBoPABgKIAiVSUHCCCAAgIgAIiIGOCMgMdjKE9TuUcCAm1hGIqYe62aKegAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(2-methoxyphenyl)-1-methylsulfonyl-6-oxidanylidene-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide > (2R,3R,3aS,9bS)-6-keto-1-mesyl-7-(2-methoxyphenyl)-3-methylol-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrol[2,3-a]indolizine-2-carboxamide > InChI=1S/C23H29N3O6S/c1-4-11-24-22(28)21-17(13-27)16-12-25-18(20(16)26(21)33(3,30)31)10-9-15(23(25)29)14-7-5-6-8-19(14)32-2/h5-10,16-17,20-21,27H,4,11-13H2,1-3H3,(H,24,28)/t16-,17-,20+,21-/m1/s1 > WZSWKMGCOJRYRA-SGLNWRHMSA-N > 0.8 > 475.17770683 > C23H29N3O6S > 475.6 > CCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C4=CC=CC=C4OC)C2N1S(=O)(=O)C)CO > CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4OC)[C@H]2N1S(=O)(=O)C)CO > 125 > 475.17770683 > 0 > 33 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 34 5 12 35 5 13 17 5 14 18 6 16 19 8 19 23 8 20 22 8 22 23 8 25 27 8 25 28 8 27 30 8 28 31 8 30 32 8 31 32 8 9 16 8 9 20 8 $$$$