CSS
Summary
| Name: | S-MERCAPTOCYSTEINE |
| Formula: | C3 H7 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 153.223 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-disulfanyl-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-disulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CSS)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CSS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)SS |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)SS |
| InChI | InChI | 1.03 | InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | XBKONSCREBSMCS-REOHCLBHSA-N |
