OCS
Summary
| Name: | CYSTEINESULFONIC ACID |
| Formula: | C3 H7 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 169.156 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-sulfo-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-3-sulfo-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | XVOYSCVBGLVSOL-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](C[S](O)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](C[S](O)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H](C(=O)O)N)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(=O)O)N)S(=O)(=O)O |
