9852832 -OEChem-06201306592D 89 92 0 0 0 0 0 0 0999 V2000 11.9398 7.6175 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 3.9574 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5308 4.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 6.4984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 8.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 9.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 8.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5669 12.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 5.5754 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 4.7664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 6.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 12.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 1.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8352 0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 2.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 3.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 4.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7037 5.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 4.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4262 5.4474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4082 6.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6648 5.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 5.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 4.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2172 7.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2353 6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 7.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1307 7.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 7.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 8.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 4.0462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 9.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 12.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7009 12.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6508 1.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 1.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8409 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5767 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7840 3.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5357 1.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 2.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 0.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2684 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 0.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4537 0.9640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8122 2.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1364 2.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1087 3.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7845 4.2359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8418 7.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 4.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8798 7.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 7.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8017 5.7831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 7.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 8.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 7.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1921 3.4798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0107 3.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6965 4.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2861 8.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4233 9.3832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5573 9.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 8.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 13.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4363 13.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3024 11.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 11.6645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 12.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 11.5194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 12.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 25 1 0 0 0 0 3 43 1 0 0 0 0 4 29 2 0 0 0 0 5 33 1 0 0 0 0 5 44 1 0 0 0 0 6 42 1 0 0 0 0 6 82 1 0 0 0 0 7 42 2 0 0 0 0 8 46 1 0 0 0 0 8 89 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 23 1 0 0 0 0 10 29 1 0 0 0 0 10 62 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 35 1 0 0 0 0 12 45 1 0 0 0 0 12 87 1 0 0 0 0 12 88 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 34 2 0 0 0 0 26 33 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 2 0 0 0 0 30 31 1 0 0 0 0 30 36 2 0 0 0 0 31 64 1 0 0 0 0 32 38 1 0 0 0 0 32 40 1 0 0 0 0 33 39 2 0 0 0 0 34 39 1 0 0 0 0 34 67 1 0 0 0 0 35 42 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 38 2 0 0 0 0 37 41 1 0 0 0 0 38 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 40 72 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 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 45 46 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 46 86 1 0 0 0 0 M END > 9852832 > 1 > 935 > 9 > 4 > 11 > AAADcfB/uABEAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgYQCAAADQ7h3iYz3/PMFgisAyXyfACC+KlnL3kB2LW+b9iOdvPlv7uUMShu0RPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-aminoethanol;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid > 2-aminoethanol;2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid > 2-aminoethanol;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid > 2-azanylethanol;2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid > 2-aminoethanol;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid > InChI=1S/C32H36ClN3O5S.C2H7NO/c1-18-12-19(2)30-21(13-18)14-24(36(30)17-28(37)38)31(39)35-32-34-29(22-15-26(41-4)23(33)16-25(22)40-3)27(42-32)11-10-20-8-6-5-7-9-20;3-1-2-4/h12-16,20H,5-11,17H2,1-4H3,(H,37,38)(H,34,35,39);4H,1-3H2 > COILIDFWUDVRLY-UHFFFAOYSA-N > 670.259184 > C34H43ClN4O6S > 671.24642 > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C.C(CO)N > CC1=CC(=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=CC(=C(C=C5OC)Cl)OC)C.C(CO)N > 177 > 670.259184 > 0 > 46 > 0 > 0 > 0 > 0 > 0 > 2 > 3 > 1 5 255 > 11 27 8 11 28 8 2 21 8 2 23 8 21 22 8 24 25 8 24 26 8 25 34 8 26 33 8 27 31 8 28 30 8 28 32 8 30 31 8 30 36 8 32 38 8 33 39 8 34 39 8 36 37 8 37 38 8 9 22 8 9 23 8 $$$$