22612578 -OEChem-04232422112D 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 9.0917 -0.1472 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 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 8.9417 0.4544 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 11.4102 -0.4992 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 10.1745 1.8706 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 8.7154 -1.6990 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 11.3282 -1.2795 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 10.1429 -2.2435 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 11.5897 1.9130 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 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 5.3715 -0.7674 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 3.9385 -0.5359 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 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 5.0143 -2.4622 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 3.5814 -2.2307 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 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 4.6571 -4.1570 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 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 9.6037 5.8902 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 8.3705 5.7606 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 14.0565 4.1561 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 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 15 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 48 1 0 0 0 0 13 49 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-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 > 637.2377203 > C34H40ClN3O5S > 638.2 > 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 > 637.2377203 > 0 > 44 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 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 $$$$