A1L1W
概要
| 表記: | (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| 組成式: | C30 H45 N O4 |
| 電荷: | 0 |
| 化学式量: | 483.683 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~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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/C30H45NO4/c1-19-12-15-30(16-13-19)17-14-22-23(27(32)31-21-10-8-6-7-9-11-21)18-20(2)24(25(22)30)26(28(33)34)35-29(3,4)5/h18-19,21,26H,6-17H2,1-5H3,(H,31,32)(H,33,34)/t19-,26?,30- |
| InChIKey | InChI | 1.06 | OJRZALXVPTWGHE-ZLGRQJJPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC[C@@]2(CC1)CCc3c(cc(C)c([C@H](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4 |
| SMILES | CACTVS | 3.385 | C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)(C)C)C(O)=O)c23)C(=O)NC4CCCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1[C@@H](C(=O)O)OC(C)(C)C)C3(CC2)CCC(CC3)C)C(=O)NC4CCCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2c(c1C(C(=O)O)OC(C)(C)C)C3(CC2)CCC(CC3)C)C(=O)NC4CCCCCC4 |
