3MM
概要
| 表記: | (1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(METHYLSULFANYL)PROPAN-1-AMINIUM |
| 別名: | N,N,N-TRIMETHYL-L-METHIONINE |
| 組成式: | C8 H18 N O2 S |
| 電荷: | 1 |
| 化学式量: | 192.299 Da |
| 分子種別: | D-PEPTIDE NH3 AMINO TERMINUS |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (1R)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium |
| OpenEye OEToolkits | 1.5.0 | [(2R)-1-hydroxy-4-methylsulfanyl-1-oxo-butan-2-yl]-trimethyl-azanium |
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 | 10.04 | O=C(O)C([N+](C)(C)C)CCSC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSCC[C@H](C(O)=O)[N+](C)(C)C |
| SMILES | CACTVS | 3.341 | CSCC[CH](C(O)=O)[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)[C@H](CCSC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)C(CCSC)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | LIOVZIQCHLSVBO-SSDOTTSWSA-O |
