Summary
| Name: | TYROSINE-O-SULPHONIC ACID |
| Formula: | C9 H11 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 261.252 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | O-sulfo-L-tyrosine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)N)O |
| InChI | InChI | 1.02b | InChI=1/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1/f/h11,13H |
| InChIKey | InChI | 1.02b | CIQHWLTYGMYQQR-UHLPRPDGDW |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O |
