TL0
概要
| 表記: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate |
| 組成式: | C33 H43 F N6 O4 S |
| 電荷: | 0 |
| 化学式量: | 638.796 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C33H43FN6O4S/c1-22(2)17-24-5-8-27(9-6-24)45(42,43)35-13-16-39-14-11-25(12-15-39)19-40-20-30(37-38-40)31-28-18-26(34)7-10-29(28)36-32(31)33(41)44-21-23(3)4/h5-10,18,20,22-23,25,35-36H,11-17,19,21H2,1-4H3 |
| InChIKey | InChI | 1.06 | QKGAAGZCWIKTJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN(CCN[S](=O)(=O)c5ccc(CC(C)C)cc5)CC4)nn3 |
| SMILES | CACTVS | 3.385 | CC(C)COC(=O)c1[nH]c2ccc(F)cc2c1c3cn(CC4CCN(CCN[S](=O)(=O)c5ccc(CC(C)C)cc5)CC4)nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)Cn3cc(nn3)c4c5cc(ccc5[nH]c4C(=O)OCC(C)C)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Cc1ccc(cc1)S(=O)(=O)NCCN2CCC(CC2)Cn3cc(nn3)c4c5cc(ccc5[nH]c4C(=O)OCC(C)C)F |
