CY4
Summary
| Name: | S-BUTYRYL-CYSTEIN |
| Formula: | C7 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 191.248 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-butanoyl-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-butanoylsulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSC(=O)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC(=O)SC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCC(=O)SC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=O)SCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | QARMATOLSBVIJD-YFKPBYRVSA-N |
