0XD
Summary
| Name: | (2E)-2-imino-4-(methylsulfanyl)butanoic acid |
| Formula: | C5 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 147.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-imino-4-(methylsulfanyl)butanoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-azanylidene-4-methylsulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=[N@H])CCSC |
| InChI | InChI | 1.03 | InChI=1S/C5H9NO2S/c1-9-3-2-4(6)5(7)8/h6H,2-3H2,1H3,(H,7,8)/b6-4+ |
| InChIKey | InChI | 1.03 | WEFMCFQVJIUASW-GQCTYLIASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSCCC(=N)C(O)=O |
| SMILES | CACTVS | 3.370 | CSCCC(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\CCSC)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSCCC(=N)C(=O)O |
