0CS
Summary
| Name: | 3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINE |
| 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 | 10.04 | 3-[(S)-hydroperoxysulfinyl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-[(S)-hydroperoxysulfinyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CS(=O)OO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C[S@@](=O)OO)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](C[S](=O)OO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)[S@@](=O)OO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)S(=O)OO |
| InChI | InChI | 1.03 | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(8)9-7/h2,7H,1,4H2,(H,5,6)/t2-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | XWVCSZNIYHRFRC-HWEYBBGXSA-N |
