60158433 -OEChem-03292408062D 80 84 0 1 0 0 0 0 0999 V2000 11.9767 -2.1157 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -0.7105 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 0.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2434 1.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1236 -1.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 -4.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 4.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 -2.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9646 0.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 1.3857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7718 3.3420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6588 0.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 0.0985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1556 -0.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6556 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3955 0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6556 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 -1.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9307 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 2.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 3.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9156 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 -1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2895 -1.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 -1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5638 4.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2895 -2.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 -3.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0362 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -2.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6098 0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6128 4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -2.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -1.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8178 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3530 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7688 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3040 0.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0216 -4.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 -0.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4630 -0.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7080 -0.7707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0491 1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 1.6731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 1.0807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 1.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5056 2.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 3.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 2.4406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 3.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8091 3.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5585 -1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 -1.6793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5299 1.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5585 -3.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 -3.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 0.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 -2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8044 5.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 4.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 4.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 -0.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3570 -1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2241 1.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7648 0.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 -5.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5585 -5.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2714 -1.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0527 -0.9690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6546 -0.1878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -3.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -3.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 13 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 23 2 0 0 0 0 6 30 1 0 0 0 0 6 42 1 0 0 0 0 7 27 2 0 0 0 0 8 37 1 0 0 0 0 8 45 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 27 1 0 0 0 0 12 23 1 0 0 0 0 12 33 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 1 0 0 0 14 18 1 6 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 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 24 28 1 0 0 0 0 24 57 1 0 0 0 0 25 29 2 0 0 0 0 25 58 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 34 1 0 0 0 0 28 30 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 31 35 1 0 0 0 0 31 62 1 0 0 0 0 32 36 2 0 0 0 0 32 63 1 0 0 0 0 33 38 2 0 0 0 0 33 39 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 37 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 38 40 1 0 0 0 0 38 69 1 0 0 0 0 39 41 2 0 0 0 0 39 70 1 0 0 0 0 40 43 2 0 0 0 0 41 43 1 0 0 0 0 41 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 43 44 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 45 80 1 0 0 0 0 M END > 60158433 > 1 > 1080 > 7 > 1 > 7 > AAADcfB/uABEAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAAABUAAAHgYQAAAADC7B2CYzx4PABAiIAiVSUACCCAAhLxAIiBkOboiMZjrl85uUMChs1zPo6Ced2OOOKIAAAAIBAABRAAAABAIAAAAAAAAAAA== > (2R,3R)-3-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-methyl-phenyl)-2-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfanyl-5-oxo-pyrrolidine-1-carboxamide > (2R,3R)-3-[(4-acetyl-1-piperazinyl)-oxomethyl]-N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)thio]-5-oxo-1-pyrrolidinecarboxamide > (2R,3R)-3-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfanyl-5-oxopyrrolidine-1-carboxamide > (2R,3R)-3-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfanyl-5-oxopyrrolidine-1-carboxamide > (2R,3R)-N-(3-chloranyl-4-methyl-phenyl)-3-(4-ethanoylpiperazin-1-yl)carbonyl-2-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfanyl-5-oxidanylidene-pyrrolidine-1-carboxamide > (2R,3R)-3-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-methyl-phenyl)-5-keto-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)thio]pyrrolidine-1-carboxamide > InChI=1S/C33H35ClN4O6S/c1-21-5-8-24(19-28(21)34)35-32(42)38-29(40)20-33(45-27-13-11-26(44-4)12-14-27,30(38)23-6-9-25(43-3)10-7-23)31(41)37-17-15-36(16-18-37)22(2)39/h5-14,19,30H,15-18,20H2,1-4H3,(H,35,42)/t30-,33-/m1/s1 > DQTYSJGMRXESMP-LXANVCGNSA-N > 3.9 > 650.1965837 > C33H35ClN4O6S > 651.2 > CC1=C(C=C(C=C1)NC(=O)N2C(C(CC2=O)(C(=O)N3CCN(CC3)C(=O)C)SC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)Cl > CC1=C(C=C(C=C1)NC(=O)N2[C@@H]([C@](CC2=O)(C(=O)N3CCN(CC3)C(=O)C)SC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)Cl > 134 > 650.1965837 > 0 > 45 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 5 14 18 6 18 24 8 18 25 8 24 28 8 25 29 8 26 31 8 26 32 8 28 30 8 29 30 8 31 35 8 32 36 8 33 38 8 33 39 8 35 37 8 36 37 8 38 40 8 39 41 8 40 43 8 41 43 8 $$$$