BUC
Summary
| Name: | S,S-BUTYLTHIOCYSTEINE |
| Formula: | C7 H15 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 209.329 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(butyldisulfanyl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-butyldisulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSSCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCSSC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCCCSSC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCSSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCSSCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2S2/c1-2-3-4-11-12-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | XWJGTZVISFJZPH-LURJTMIESA-N |
