HCS
Summary
| Name: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID |
| Synonyms: | L-Homocysteine |
| Formula: | C4 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 135.185 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-homocysteine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-sulfanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCS)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CS)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CS)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | FFFHZYDWPBMWHY-VKHMYHEASA-N |
