3YM
Summary
| Name: | 3-methoxy-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 | 3-methoxy-L-tyrosine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1cc(OC)c(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | PFDUUKDQEHURQC-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(C[C@H](N)C(O)=O)ccc1O |
| SMILES | CACTVS | 3.370 | COc1cc(C[CH](N)C(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)CC(C(=O)O)N |
