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 |