U44
概要
| 表記: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
| 組成式: | C11 H22 N2 O3 S |
| 電荷: | 0 |
| 化学式量: | 262.369 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]butanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(S)CNC(CCNC(=O)C(C(C)(C)C)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H22N2O3S/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | YIIGMETYCAAZBV-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH](O)C(=O)NCCC(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(C(=O)NCCC(=O)NCCS)O |
