2R3
Summary
| Name: | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
| Formula: | C10 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 211.215 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (betaR)-beta-hydroxy-O-methyl-L-tyrosine |
| OpenEye OEToolkits | 1.7.6 | (2S,3R)-2-azanyl-3-(4-methoxyphenyl)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)c1ccc(OC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | YEMITEDRQMFNKS-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H](O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH](O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)C(C(C(=O)O)N)O |
