LLO
概要
| 表記: | N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine |
| 別名: | 4-Hydroxy-4-Methyl-2-Pentanone |
| 組成式: | C12 H26 N2 O3 |
| 電荷: | 0 |
| 化学式量: | 246.346 Da |
| 分子種別: | L-peptide linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-6-[[(2S)-4-hydroxy-4-methyl-pentan-2-yl]amino]hexanoic 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 |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCNC(CC(O)(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](CC(C)(C)O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](CC(C)(C)O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@@H](CC(C)(C)O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(C)(C)O)NCCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | DFHXLOGIWRRFER-UWVGGRQHSA-N |
