22612551 -OEChem-05062414502D 72 76 0 0 0 0 0 0 0999 V2000 13.4028 3.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4871 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.4559 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 4.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -3.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -2.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 1.1621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.3531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 -3.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 -3.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 -2.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 -3.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 1.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 3.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9074 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6622 4.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 -2.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 -3.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 -3.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 -1.4796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 -1.3962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 -4.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 -4.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 -2.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 -1.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 -4.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 -3.4493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 -1.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 -2.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 -0.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 -0.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3048 2.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2647 1.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.7561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -1.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6552 -0.9335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4738 -0.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 0.1993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9144 4.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0958 4.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4100 3.8581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 -4.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 38 1 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 24 1 0 0 0 0 4 40 1 0 0 0 0 5 31 1 0 0 0 0 5 41 1 0 0 0 0 6 27 2 0 0 0 0 7 39 1 0 0 0 0 7 72 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 57 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 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 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 58 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 35 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 39 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 35 37 2 0 0 0 0 35 63 1 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 40 66 1 0 0 0 0 40 67 1 0 0 0 0 40 68 1 0 0 0 0 41 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 M END > 22612551 > 1 > 898 > 7 > 2 > 10 > AAADceB7OABGAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af4yfCeBQBBIQAKCAAKAIJCABQQAAAAAAAAAA== > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[5-chloro-2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > 2-[5-chloranyl-2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid > 2-[5-chloro-2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid > InChI=1S/C30H31Cl2N3O5S/c1-39-24-15-21(32)25(40-2)14-20(24)28-26(11-8-17-6-4-3-5-7-17)41-30(33-28)34-29(38)23-13-18-12-19(31)9-10-22(18)35(23)16-27(36)37/h9-10,12-15,17H,3-8,11,16H2,1-2H3,(H,36,37)(H,33,34,38) > VBRYWAAVGGWBTI-UHFFFAOYSA-N > 8.5 > 615.1361477 > C30H31Cl2N3O5S > 616.6 > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4)Cl)CCC5CCCCC5)OC)Cl > COC1=CC(=C(C=C1C2=C(SC(=N2)NC(=O)C3=CC4=C(N3CC(=O)O)C=CC(=C4)Cl)CCC5CCCCC5)OC)Cl > 131 > 615.1361477 > 0 > 41 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 26 8 11 28 8 20 21 8 23 24 8 23 25 8 24 32 8 25 31 8 26 30 8 28 29 8 28 35 8 29 30 8 29 36 8 3 20 8 3 22 8 31 34 8 32 34 8 35 37 8 36 38 8 37 38 8 9 21 8 9 22 8 $$$$