ZDJ
Summary
| Name: | 3-methyl-L-tyrosine |
| Formula: | C10 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 195.215 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-L-tyrosine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(3-methyl-4-oxidanyl-phenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1cc(CC(N)C(=O)O)ccc1O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | MQHLULPKDLJASZ-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C[C@H](N)C(O)=O)ccc1O |
| SMILES | CACTVS | 3.385 | Cc1cc(C[CH](N)C(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)CC(C(=O)O)N |
