9809079 -OEChem-05042416122D 76 80 0 0 0 0 0 0 0999 V2000 13.1707 -2.8435 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9836 0.8166 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7256 -2.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3798 -0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0001 -2.7245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 -4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -3.9028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9836 -0.8014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 0.0076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -1.6632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 2.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3617 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3437 3.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1707 2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1527 4.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0662 3.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6392 2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7437 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 0.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7437 -1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6392 -2.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6572 -0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -0.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4663 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4482 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6229 -2.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3617 -2.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -3.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6211 -3.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1888 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5130 2.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0150 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8077 1.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7477 3.5013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4425 2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 3.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4994 4.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7067 4.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6847 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2162 4.4549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3674 2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0432 1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0155 0.5381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3397 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7220 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5048 0.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3834 -3.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1492 -2.9413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 -2.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -1.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -0.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0045 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5563 -4.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 -3.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8244 -1.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6904 -1.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5532 -0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7503 -4.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 24 1 0 0 0 0 3 40 1 0 0 0 0 4 31 1 0 0 0 0 4 41 1 0 0 0 0 5 27 2 0 0 0 0 6 34 1 0 0 0 0 6 42 1 0 0 0 0 7 39 1 0 0 0 0 7 76 1 0 0 0 0 8 39 2 0 0 0 0 9 21 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 27 1 0 0 0 0 10 58 1 0 0 0 0 11 26 1 0 0 0 0 11 28 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 16 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 17 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 32 2 0 0 0 0 25 31 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 28 29 2 0 0 0 0 28 34 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 60 1 0 0 0 0 31 35 2 0 0 0 0 32 35 1 0 0 0 0 32 61 1 0 0 0 0 33 39 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 37 2 0 0 0 0 36 38 2 0 0 0 0 36 64 1 0 0 0 0 37 38 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 42 72 1 0 0 0 0 M END > 9809079 > 1 > 912 > 8 > 2 > 11 > AAADcfB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfASC+Klnb3kJ2DW/b9iOZvPlv7uVMShuwRPY6af42fOeBQABAQAKGAAKAAICABQwAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-methoxy-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-7-methoxy-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methoxyindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methoxyindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-7-methoxy-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-7-methoxy-indol-1-yl]acetic acid > InChI=1S/C31H34ClN3O6S/c1-39-23-11-7-10-19-14-22(35(29(19)23)17-27(36)37)30(38)34-31-33-28(20-15-25(41-3)21(32)16-24(20)40-2)26(42-31)13-12-18-8-5-4-6-9-18/h7,10-11,14-16,18H,4-6,8-9,12-13,17H2,1-3H3,(H,36,37)(H,33,34,38) > AXDWNJKERZGTNC-UHFFFAOYSA-N > 7.8 > 611.1856847 > C31H34ClN3O6S > 612.1 > COC1=CC=CC2=C1N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > COC1=CC=CC2=C1N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > 140 > 611.1856847 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 26 8 11 28 8 2 20 8 2 22 8 20 21 8 23 24 8 23 25 8 24 32 8 25 31 8 26 30 8 28 29 8 28 34 8 29 30 8 29 36 8 31 35 8 32 35 8 34 37 8 36 38 8 37 38 8 9 21 8 9 22 8 $$$$