HCM
Summary
| Name: | (2S)-2-amino-4-(methyldisulfanyl)butanoic acid |
| Synonyms: | S-methylsulfanyl-homocystein |
| Formula: | C5 H11 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 181.276 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(methyldisulfanyl)butanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4-(methyldisulfanyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCSSC |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO2S2/c1-9-10-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | FBHYROPXAAGPRS-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSSCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.370 | CSSCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CSSCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSSCCC(C(=O)O)N |
