MS6
Summary
| Name: | (2S)-2-amino-4-(methylsulfanyl)butane-1-thiol |
| Synonyms: | (2S)-2-amino-4-(methylsulfanyl)butanethioic O-acid |
| Formula: | C5 H11 N O S2 |
| Formal charge: | 0 |
| Formula weight: | 165.277 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(methylsulfanyl)butane-1-thiol |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-methylsulfanyl-butanethioic O-acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)(CS)CCSC |
| InChI | InChI | 1.06 | InChI=1S/C5H11NOS2/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | IXNUCNJMRZVHDV-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](N)C(O)=S |
| SMILES | CACTVS | 3.385 | CSCC[CH](N)C(O)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H](C(=S)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC(C(=S)O)N |
