0EA
Summary
| Name: | (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine |
| Formula: | C10 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 227.214 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (betaR)-beta,3-dihydroxy-N-methyl-L-tyrosine |
| OpenEye OEToolkits | 1.7.6 | (2S,3R)-3-[3,4-bis(oxidanyl)phenyl]-2-(methylamino)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)C(O)c1cc(O)c(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO5/c1-11-8(10(15)16)9(14)5-2-3-6(12)7(13)4-5/h2-4,8-9,11-14H,1H3,(H,15,16)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | RPXZFIAFSLMEJW-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH]([CH](O)c1ccc(O)c(O)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN[C@@H]([C@@H](c1ccc(c(c1)O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(C(c1ccc(c(c1)O)O)O)C(=O)O |
