EIZ
概要
| 表記: | tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate |
| 別名: | (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid |
| 組成式: | C18 H22 N2 O4 S |
| 電荷: | 0 |
| 化学式量: | 362.443 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 | ~{tert}-butyl ~{N}-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate |
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/C18H22N2O4S/c1-18(2,3)24-17(23)20-16-13(15(22)19-9-10-21)11-14(25-16)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,19,22)(H,20,23) |
| InChIKey | InChI | 1.06 | IBSJNIANIOEIGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NCCO |
