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 |