DAH
Summary
| Name: | 3,4-DIHYDROXYPHENYLALANINE |
| Synonyms: | L-DOPA |
| Formula: | C9 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 197.188 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-hydroxy-L-tyrosine |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1ccc(CC(N)C(=O)O)cc1O |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | WTDRDQBEARUVNC-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(O)c(O)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C[C@@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1CC(C(=O)O)N)O)O |
