60823 -OEChem-05052400252D 76 79 0 1 0 0 0 0 0999 V2000 10.1755 -4.8965 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 -1.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2578 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 1.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -0.3087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8565 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -0.2576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9781 0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 0.1025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2633 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6787 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1435 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -3.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -3.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6298 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0945 -1.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4388 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6254 4.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0266 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6199 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -0.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 0.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 -0.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 1.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 1.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 0.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0608 2.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 2.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 2.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4878 -0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 1.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5498 0.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6827 -2.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2399 2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -3.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -3.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -1.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0905 0.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2234 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 4.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6910 2.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3732 5.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6432 3.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9843 5.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 16 2 1 1 0 0 0 2 61 1 0 0 0 0 22 3 1 1 0 0 0 3 67 1 0 0 0 0 4 23 2 0 0 0 0 5 35 1 0 0 0 0 5 73 1 0 0 0 0 6 35 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 23 1 0 0 0 0 8 34 1 0 0 0 0 8 64 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 24 35 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 30 2 0 0 0 0 26 60 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 32 2 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 36 2 0 0 0 0 31 68 1 0 0 0 0 32 36 1 0 0 0 0 32 69 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 M END > 60823 > 1 > 822 > 6 > 4 > 12 > AAADcfB/OQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAAAB1AAAHwAQCAAADRzhng4yyJPMEgCoAyXyXACCgCAlAiAI2CE4ZNgIMP7A1ZGEYYhntADIyUec/ObOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid > (3R,5R)-7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoic acid > (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid > (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid > (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoic acid > (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-enanthic acid > InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 > XUKUURHRXDUEBC-KAYWLYCHSA-N > 5 > 558.25300038 > C33H35FN2O5 > 558.6 > CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 > CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 > 112 > 558.25300038 > 0 > 41 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 14 15 8 18 25 8 18 26 8 16 2 5 21 27 8 21 28 8 25 29 8 26 30 8 27 31 8 28 32 8 29 33 8 22 3 5 30 33 8 31 36 8 32 36 8 34 37 8 34 38 8 37 39 8 38 40 8 39 41 8 40 41 8 7 11 8 7 9 8 9 14 8 $$$$