9916949 -OEChem-05251300312D 76 80 0 0 0 0 0 0 0999 V2000 14.2688 -3.4981 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 0.1620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8237 -3.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4779 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 3.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 2.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0817 -1.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.6470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 2.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4417 3.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2508 3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2688 2.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 3.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8418 0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 -1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8418 -1.7348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 -2.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 -1.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5644 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5463 -3.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4598 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 -4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2869 -2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9799 2.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1131 1.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9058 1.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 3.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8458 2.8467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8648 2.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5975 4.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 4.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7828 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3143 3.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 1.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1413 1.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1136 -0.1165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4378 0.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -1.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8201 -0.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 -1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4815 -3.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 1.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 2.4622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1026 -4.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6544 -4.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3358 -4.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7885 -2.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6513 -1.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 4.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 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 37 1 0 0 0 0 6 42 1 0 0 0 0 7 39 1 0 0 0 0 7 73 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 16 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 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 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 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 35 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 34 2 0 0 0 0 32 34 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 35 38 2 0 0 0 0 35 64 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 38 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 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 M END > 9916949 > 1 > 912 > 8 > 2 > 11 > AAADcfB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7B3iYz3/PMFgisAyXyfACC+KlnL3kJ2DW+b9iOZvPlv7uUMShuwRPY6af42fOeBUABAQAKCAAKgAICABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5-methoxy-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5-methoxy-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methoxyindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5-methoxy-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5-methoxy-indol-1-yl]acetic acid > InChI=1S/C31H34ClN3O6S/c1-39-20-10-11-23-19(13-20)14-24(35(23)17-28(36)37)30(38)34-31-33-29(21-15-26(41-3)22(32)16-25(21)40-2)27(42-31)12-9-18-7-5-4-6-8-18/h10-11,13-16,18H,4-9,12,17H2,1-3H3,(H,36,37)(H,33,34,38) > HYGJUCCSZDXPRF-UHFFFAOYSA-N > 7.8 > 611.185685 > C31H34ClN3O6S > 612.13616 > COC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > COC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)CC(=O)O > 140 > 611.185685 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 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 35 8 29 30 8 29 36 8 31 34 8 32 34 8 35 38 8 36 37 8 37 38 8 9 21 8 9 22 8 $$$$