17378814 -OEChem-04182421322D 67 69 0 1 0 0 0 0 0999 V2000 7.2764 -0.5293 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -1.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -3.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -2.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.2755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2245 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -1.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.5905 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -0.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.4566 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8600 0.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 0.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 2.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -2.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 1.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 3.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.6678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.7504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 0.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -0.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -1.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -2.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.2805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 -1.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9676 0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2773 0.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7523 -2.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4426 -1.6686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 0.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8969 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6700 1.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 -1.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 -0.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5500 -3.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8192 3.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4224 4.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6405 3.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 25 2 0 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 4 28 2 0 0 0 0 5 29 1 0 0 0 0 5 64 1 0 0 0 0 6 29 2 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 20 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 21 2 0 0 0 0 18 28 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 M END > 17378814 > 1 > 791 > 6 > 2 > 7 > AAADcfB6OABAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAEgBgAAAHgQQCAAADwCB2AICiYLABgiMAgHQWACDAIBlCBkAiBEATMgIJjrgtJmEUYhm1AHo6Ue/yOCPgAAAAAAAAACAAAEAAAgAAAAAAAAAAA== > 6-[[6-(1,1-dimethylpropyl)-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid > 6-[[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid > 6-[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid > 6-[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid > 6-[[3-methoxycarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid > 6-[(6-tert-amyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid > InChI=1S/C25H35NO5S/c1-7-25(4,5)15-8-9-16-19(12-15)32-22(20(16)24(30)31-6)26-21(27)17-10-13(2)14(3)11-18(17)23(28)29/h15,17-18H,7-12H2,1-6H3,(H,26,27)(H,28,29) > PMEJTYIMDWFGBO-UHFFFAOYSA-N > 5.4 > 461.22359439 > C25H35NO5S > 461.6 > CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC(=C(CC3C(=O)O)C)C > CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC(=C(CC3C(=O)O)C)C > 121 > 461.22359439 > 0 > 32 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 14 8 1 21 8 14 15 8 15 18 8 18 21 8 19 25 3 22 29 3 8 9 3 $$$$