56589043 -OEChem-04252400192D 74 79 0 1 0 0 0 0 0999 V2000 9.5184 4.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8326 3.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1464 0.2207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7411 -3.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 3.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7957 0.7496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3828 2.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4291 -0.9432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1666 2.9218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4904 1.7019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4732 1.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1874 2.4759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1885 3.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8579 3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5268 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8795 4.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5486 4.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1663 2.2718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8854 4.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 3.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4790 1.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7731 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 2.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 4.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 3.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 4.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2727 1.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7571 -1.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 1.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6538 0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7798 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0624 -2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6783 0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 -2.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 -3.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4131 -3.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 -4.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 2.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0729 1.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 1.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 1.3069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7525 3.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1407 4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5484 5.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7809 5.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 5.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7733 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3817 1.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8901 1.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 0.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0679 1.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6418 -0.0680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3790 0.4067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9043 1.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 5.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 2.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2646 3.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 5.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0350 -1.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 1.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8766 2.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 -0.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 0.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5904 -0.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6684 -2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4941 -0.5557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5018 -2.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 -3.9669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 -5.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2358 -5.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6369 -4.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 18 2 1 1 0 0 0 2 59 1 0 0 0 0 3 23 2 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 10 6 1 1 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 51 1 0 0 0 0 8 23 1 0 0 0 0 8 29 1 0 0 0 0 8 62 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 41 1 6 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 45 1 6 0 0 0 13 16 2 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 21 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 32 1 0 0 0 0 30 63 1 0 0 0 0 31 33 2 0 0 0 0 31 64 1 0 0 0 0 32 36 2 0 0 0 0 32 65 1 0 0 0 0 33 36 1 0 0 0 0 33 66 1 0 0 0 0 34 37 1 0 0 0 0 34 67 1 0 0 0 0 35 38 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 39 2 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 M END > 56589043 > 1 > 903 > 4 > 3 > 5 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAFix9AAAHgAQCAAADTzhngYzxvPJlgCoAyVyVACCiCAhIiAImSE+bJiMdv7E8ZuUcChu9hPI6Ce42eOegEACAAACAAAAgAQAAAQAAAAAAAAAAA== > 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-oxo-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-(4-methoxyphenyl)-1-methyl-urea > 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-oxo-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-(4-methoxyphenyl)-1-methylurea > 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-oxo-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-(4-methoxyphenyl)-1-methylurea > 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-oxo-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-(4-methoxyphenyl)-1-methylurea > 1-[(2S,3R,12bS)-3-[(1S)-1-oxidanylethyl]-4-oxidanylidene-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-(4-methoxyphenyl)-1-methyl-urea > 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-keto-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]beta-carbolin-2-yl]-3-(4-methoxyphenyl)-1-methyl-urea > InChI=1S/C32H34N4O4/c1-19(37)28-26(35(2)32(39)33-21-12-14-22(40-3)15-13-21)18-27-30-25(16-17-36(27)31(28)38)24-11-7-10-23(29(24)34-30)20-8-5-4-6-9-20/h4-15,19,26-28,34,37H,16-18H2,1-3H3,(H,33,39)/t19-,26-,27-,28-/m0/s1 > ZLDGHTPGPDFXOV-WBPCDWGQSA-N > 4.4 > 538.25800558 > C32H34N4O4 > 538.6 > CC(C1C(CC2C3=C(CCN2C1=O)C4=C(N3)C(=CC=C4)C5=CC=CC=C5)N(C)C(=O)NC6=CC=C(C=C6)OC)O > C[C@@H]([C@H]1[C@H](C[C@H]2C3=C(CCN2C1=O)C4=C(N3)C(=CC=C4)C5=CC=CC=C5)N(C)C(=O)NC6=CC=C(C=C6)OC)O > 97.9 > 538.25800558 > 0 > 40 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 45 6 13 16 8 16 19 8 19 20 8 19 25 8 18 2 5 20 24 8 24 26 8 25 27 8 26 27 8 28 30 8 28 31 8 29 34 8 29 35 8 30 32 8 31 33 8 32 36 8 33 36 8 34 37 8 35 38 8 37 39 8 38 39 8 10 6 5 7 13 8 7 20 8 9 41 6 $$$$