10985061 -OEChem-04242423502D 90 94 0 0 0 0 0 0 0999 V2000 9.2157 1.5852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9577 -1.7129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6119 -0.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4978 -3.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2086 -2.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.0329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.7762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 3.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 3.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 4.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 3.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2983 4.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 0.0951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 -1.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 -4.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 -2.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4028 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8532 -2.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5742 -4.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0856 -3.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4209 -0.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 3.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2471 2.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0398 2.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 4.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9797 4.2699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6746 3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 3.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7314 5.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9388 5.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9168 4.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4483 5.2234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5994 3.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2753 2.6876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2476 1.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 2.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 1.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9541 0.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 -2.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4019 -1.5531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0384 -2.5766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 -2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7672 -1.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 -4.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -5.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -5.4426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 -5.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0357 -5.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9883 -4.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4997 -3.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6242 -3.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 -4.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2366 -2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7884 -3.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4698 -2.7722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0565 -1.1753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7853 -0.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 22 1 0 0 0 0 2 40 1 0 0 0 0 3 27 1 0 0 0 0 3 45 1 0 0 0 0 4 35 1 0 0 0 0 4 37 1 0 0 0 0 5 25 2 0 0 0 0 6 37 2 0 0 0 0 7 19 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 8 61 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 14 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 28 1 0 0 0 0 23 27 2 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 31 2 0 0 0 0 26 29 2 0 0 0 0 26 33 1 0 0 0 0 27 30 1 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 30 38 1 0 0 0 0 31 64 1 0 0 0 0 32 37 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 39 2 0 0 0 0 33 67 1 0 0 0 0 34 36 2 0 0 0 0 34 68 1 0 0 0 0 35 41 1 0 0 0 0 35 42 1 0 0 0 0 35 43 1 0 0 0 0 36 39 1 0 0 0 0 36 44 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 69 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 40 84 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 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 45 90 1 0 0 0 0 M END > 10985061 > 1 > 986 > 7 > 1 > 12 > AAADcfB/OABAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/AAAHgQQAAAADUzB3gYz3/PMFAisAyXyfACC+KlnKjkJ2DW+bNiOZvLkvbuXMShuwRPY6af4yfCeSQADAAAKAACSAAYAABQAAAAAAAAAAA== > tert-butyl 2-[2-[[5-(2-cyclohexylethyl)-4-(2,5-dimethoxy-4-methyl-phenyl)thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]acetate > 2-[2-[[[5-(2-cyclohexylethyl)-4-(2,5-dimethoxy-4-methylphenyl)-2-thiazolyl]amino]-oxomethyl]-5-methyl-1-indolyl]acetic acid tert-butyl ester > tert-butyl 2-[2-[[5-(2-cyclohexylethyl)-4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylindol-1-yl]acetate > tert-butyl 2-[2-[[5-(2-cyclohexylethyl)-4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-methylindol-1-yl]acetate > tert-butyl 2-[2-[[5-(2-cyclohexylethyl)-4-(2,5-dimethoxy-4-methyl-phenyl)-1,3-thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]ethanoate > 2-[2-[[5-(2-cyclohexylethyl)-4-(2,5-dimethoxy-4-methyl-phenyl)thiazol-2-yl]carbamoyl]-5-methyl-indol-1-yl]acetic acid tert-butyl ester > InChI=1S/C36H45N3O5S/c1-22-13-15-27-25(17-22)19-28(39(27)21-32(40)44-36(3,4)5)34(41)38-35-37-33(26-20-29(42-6)23(2)18-30(26)43-7)31(45-35)16-14-24-11-9-8-10-12-24/h13,15,17-20,24H,8-12,14,16,21H2,1-7H3,(H,37,38,41) > KOSUSGUHNCGRHN-UHFFFAOYSA-N > 9.3 > 631.30799272 > C36H45N3O5S > 631.8 > CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=C(C=C(C(=C5)OC)C)OC)CC(=O)OC(C)(C)C > CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC3=NC(=C(S3)CCC4CCCCC4)C5=C(C=C(C(=C5)OC)C)OC)CC(=O)OC(C)(C)C > 120 > 631.30799272 > 0 > 45 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 18 8 1 20 8 18 19 8 21 22 8 21 23 8 22 28 8 23 27 8 24 31 8 26 29 8 26 33 8 27 30 8 28 30 8 29 31 8 29 34 8 33 39 8 34 36 8 36 39 8 7 19 8 7 20 8 9 24 8 9 26 8 $$$$