11330946 -OEChem-05122401512D 74 77 0 1 0 0 0 0 0999 V2000 2.0000 -0.7972 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.5049 -3.1136 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -6.4653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1550 1.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -3.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3360 3.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1158 5.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5171 4.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3916 -0.9265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -1.5174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3916 -0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -2.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9794 -0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8093 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6517 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -3.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1605 1.6051 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5727 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7537 2.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3415 3.3276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3948 -1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8596 -3.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 -3.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -3.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9348 4.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8107 -3.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0256 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 -1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5538 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -5.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5226 5.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 -3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 -2.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4204 -0.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 -0.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 0.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 1.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6442 1.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 0.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1927 -0.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8741 -0.8386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5249 2.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9561 0.8609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 2.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2397 2.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 3.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2659 -0.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3989 -3.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 -3.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -3.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 -0.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5041 4.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 3.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8066 -1.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9396 -4.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2946 -5.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4887 -5.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7005 3.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 -0.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6902 -3.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -3.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -2.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4802 6.4653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 22 4 1 6 0 0 0 4 68 1 0 0 0 0 5 21 2 0 0 0 0 25 6 1 6 0 0 0 6 69 1 0 0 0 0 7 38 1 0 0 0 0 7 74 1 0 0 0 0 8 38 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 21 1 0 0 0 0 10 35 1 0 0 0 0 10 61 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 44 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 23 2 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 26 2 0 0 0 0 19 27 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 30 1 0 0 0 0 25 56 1 0 0 0 0 26 31 1 0 0 0 0 26 57 1 0 0 0 0 27 32 2 0 0 0 0 27 58 1 0 0 0 0 28 33 1 0 0 0 0 28 59 1 0 0 0 0 29 34 2 0 0 0 0 29 60 1 0 0 0 0 30 38 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 36 2 0 0 0 0 31 64 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 33 37 2 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 39 2 0 0 0 0 35 40 1 0 0 0 0 39 41 1 0 0 0 0 39 70 1 0 0 0 0 40 42 2 0 0 0 0 40 71 1 0 0 0 0 41 43 2 0 0 0 0 42 43 1 0 0 0 0 42 72 1 0 0 0 0 43 73 1 0 0 0 0 M END > 11330946 > 1 > 940 > 7 > 4 > 11 > AAADceB/OYAEAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAAAB1AAAHwIQCAAADD7hni4yyJPMEgCoAyXyXACCgCAnByAI2CG4ZtgIdHbBl7GUcQhltADI2QeY7cTegAAAAAIAAAAAAAAABAAAAAAAAAAAAA== > (E,3R,5S)-7-[5-[(3-chlorophenyl)carbamoyl]-3,4-bis(4-fluorophenyl)-1-isopropyl-pyrrol-2-yl]-3,5-dihydroxy-hept-6-enoic acid > (E,3R,5S)-7-[5-[(3-chloroanilino)-oxomethyl]-3,4-bis(4-fluorophenyl)-1-propan-2-yl-2-pyrrolyl]-3,5-dihydroxy-6-heptenoic acid > (E,3R,5S)-7-[5-[(3-chlorophenyl)carbamoyl]-3,4-bis(4-fluorophenyl)-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid > (E,3R,5S)-7-[5-[(3-chlorophenyl)carbamoyl]-3,4-bis(4-fluorophenyl)-1-propan-2-ylpyrrol-2-yl]-3,5-dihydroxyhept-6-enoic acid > (E,3R,5S)-7-[5-[(3-chlorophenyl)carbamoyl]-3,4-bis(4-fluorophenyl)-1-propan-2-yl-pyrrol-2-yl]-3,5-bis(oxidanyl)hept-6-enoic acid > (E,3R,5S)-7-[5-[(3-chlorophenyl)carbamoyl]-3,4-bis(4-fluorophenyl)-1-isopropyl-pyrrol-2-yl]-3,5-dihydroxy-hept-6-enoic acid > InChI=1S/C33H31ClF2N2O5/c1-19(2)38-28(15-14-26(39)17-27(40)18-29(41)42)30(20-6-10-23(35)11-7-20)31(21-8-12-24(36)13-9-21)32(38)33(43)37-25-5-3-4-22(34)16-25/h3-16,19,26-27,39-40H,17-18H2,1-2H3,(H,37,43)(H,41,42)/b15-14+/t26-,27-/m1/s1 > JNJZDKOQTIGNNB-FDFRSNTISA-N > 5.7 > 608.1889561 > C33H31ClF2N2O5 > 609.1 > CC(C)N1C(=C(C(=C1C(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C=CC(CC(CC(=O)O)O)O > CC(C)N1C(=C(C(=C1C(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)/C=C/[C@H](C[C@H](CC(=O)O)O)O > 112 > 608.1889561 > 0 > 43 > 2 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 13 15 8 14 15 8 19 26 8 19 27 8 20 28 8 20 29 8 26 31 8 27 32 8 28 33 8 29 34 8 31 36 8 32 36 8 33 37 8 34 37 8 35 39 8 35 40 8 39 41 8 22 4 6 40 42 8 41 43 8 42 43 8 25 6 6 9 12 8 9 13 8 $$$$