22612578 -OEChem-05221322122D 84 88 0 1 0 0 0 0 0999 V2000 12.5368 -5.1930 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.5328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -4.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7458 -3.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9174 5.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 4.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -3.1508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.3418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 0.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 0.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -1.2540 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9871 1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7962 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -2.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.3418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1097 -3.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -4.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0233 -3.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8323 -3.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8142 -5.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7278 -4.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 2.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 3.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 -5.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 4.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5716 -0.5117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4732 0.1905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -0.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 -0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4102 0.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1745 -1.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7154 1.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3912 0.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3282 1.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8597 1.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1429 2.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3502 2.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7711 -2.2272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5897 -1.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2755 -1.0944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0881 -2.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -0.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 0.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 1.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 0.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -5.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 1.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 3.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5814 2.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6571 4.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3705 -5.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9223 -6.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6037 -5.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1904 -4.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -4.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9193 -3.2901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 5.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 23 1 0 0 0 0 3 42 1 0 0 0 0 4 30 1 0 0 0 0 4 43 1 0 0 0 0 5 26 2 0 0 0 0 6 44 1 0 0 0 0 6 84 1 0 0 0 0 7 44 2 0 0 0 0 8 20 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 9 60 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 45 1 0 0 0 0 12 16 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 2 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 31 2 0 0 0 0 24 30 1 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 33 2 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 32 1 0 0 0 0 28 37 2 0 0 0 0 29 34 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 35 2 0 0 0 0 31 35 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 38 2 0 0 0 0 33 67 1 0 0 0 0 34 36 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 36 39 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 40 1 0 0 0 0 37 72 1 0 0 0 0 38 41 1 0 0 0 0 38 73 1 0 0 0 0 39 44 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 41 2 0 0 0 0 40 76 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 M END > 22612578 > 1 > 941 > 7 > 2 > 13 > AAADcfB/OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iMZvPlv7uUcShuwRPI6af4yfCehQABAQAKCAAKAAICABQQAAAAAAAAAA== > 6-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(1-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]hexanoic acid > 6-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(1-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]hexanoic acid > 6-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(1-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]hexanoic acid > 6-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(1-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]hexanoic acid > 6-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(1-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]hexanoic acid > InChI=1S/C34H40ClN3O5S/c1-21(22-12-6-4-7-13-22)32-31(24-19-29(43-3)25(35)20-28(24)42-2)36-34(44-32)37-33(41)27-18-23-14-9-10-15-26(23)38(27)17-11-5-8-16-30(39)40/h9-10,14-15,18-22H,4-8,11-13,16-17H2,1-3H3,(H,39,40)(H,36,37,41) > FJVCPESVYDRHGT-UHFFFAOYSA-N > 8.6 > 637.23772 > C34H40ClN3O5S > 638.2165 > CC(C1CCCCC1)C2=C(N=C(S2)NC(=O)C3=CC4=CC=CC=C4N3CCCCCC(=O)O)C5=CC(=C(C=C5OC)Cl)OC > CC(C1CCCCC1)C2=C(N=C(S2)NC(=O)C3=CC4=CC=CC=C4N3CCCCCC(=O)O)C5=CC(=C(C=C5OC)Cl)OC > 131 > 637.23772 > 0 > 44 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 10 25 8 10 28 8 14 19 3 18 20 8 2 18 8 2 21 8 22 23 8 22 24 8 23 31 8 24 30 8 25 33 8 28 32 8 28 37 8 30 35 8 31 35 8 32 33 8 32 38 8 37 40 8 38 41 8 40 41 8 8 20 8 8 21 8 $$$$