54664230 -OEChem-05092410492D 72 76 0 1 0 0 0 0 0999 V2000 9.2899 1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 -2.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -0.5770 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0169 1.9065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -1.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3920 -1.0716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 0.9554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5169 0.3676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1287 0.3690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8207 -0.5761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0169 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 0.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0803 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2402 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6925 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9896 1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8097 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9908 -2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8042 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9853 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6591 -2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8372 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 3.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8425 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3865 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2561 -1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -3.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0143 1.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8299 -0.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5394 -1.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6234 2.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9521 2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1655 0.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6998 0.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0703 -1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7979 -1.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 0.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3836 1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 0.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2081 -0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4335 -2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1616 -2.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8798 1.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3615 0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9420 -2.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5869 -2.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 0.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 3.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3008 -2.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4513 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0031 -0.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3217 -0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6394 -1.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 2.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 -4.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9833 -4.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 4.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 4.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 3.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 53 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 27 1 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 32 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 37 1 6 0 0 0 10 14 1 0 0 0 0 10 38 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 6 0 0 0 11 39 1 0 0 0 0 12 17 1 1 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 20 27 1 0 0 0 0 20 28 2 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 58 1 0 0 0 0 29 34 2 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END > 54664230 > 1 > 938 > 6 > 1 > 6 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWLAAAA8QIAAAAAWAEABAAAAHgAACAAADSzhmAYyBoMABgCIAiVSUACCCAAgIgAIiAGODMgMdjKE8TuUcChmxhGIqYe62SIegAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)carbonyl-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2S,3S,3aR,9bR)-3-methylol-2-(4-methylpiperazine-1-carbonyl)-1-o-anisyl-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrol[2,3-a]indolizin-6-one > InChI=1S/C28H36N4O4/c1-4-7-19-10-11-23-25-21(17-31(23)27(19)34)22(18-33)26(28(35)30-14-12-29(2)13-15-30)32(25)16-20-8-5-6-9-24(20)36-3/h4-11,21-22,25-26,33H,12-18H2,1-3H3/b7-4+/t21-,22-,25+,26-/m0/s1 > OGWDKAKSFNXGPR-ZQMIIITCSA-N > 1.5 > 492.27365564 > C28H36N4O4 > 492.6 > CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3CC4=CC=CC=C4OC)C(=O)N5CCN(CC5)C)CO > C/C=C/C1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=CC=CC=C4OC)C(=O)N5CCN(CC5)C)CO > 76.6 > 492.27365564 > 0 > 36 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 6 11 15 6 12 17 5 14 18 8 18 22 8 19 21 8 20 27 8 20 28 8 21 22 8 27 30 8 28 31 8 30 33 8 31 33 8 6 14 8 6 19 8 9 37 6 $$$$