TYJ
Summary
| Name: | 2,5-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 | 2,5-dihydroxy-N-methyl-L-tyrosine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-(methylamino)-3-(2,4,5-trihydroxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH](Cc1cc(O)c(O)cc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(Cc1cc(c(cc1O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | ZAUUPGAGAXIMDO-LURJTMIESA-N |
