AA6
Summary
| Name: | 3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-PHENYL]-2-METHYLAMINO-PROPIONIC ACID |
| Formula: | C11 H16 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 256.255 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-hydroxy-6-[(hydroxymethyl)amino]-N-methyl-L-tyrosine |
| OpenEye OEToolkits | 1.7.0 | (2S)-3-[4,5-dihydroxy-2-(hydroxymethylamino)phenyl]-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)Cc1c(cc(O)c(O)c1)NCO |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H](Cc1cc(O)c(O)cc1NCO)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH](Cc1cc(O)c(O)cc1NCO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(Cc1cc(c(cc1NCO)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O5/c1-12-8(11(17)18)2-6-3-9(15)10(16)4-7(6)13-5-14/h3-4,8,12-16H,2,5H2,1H3,(H,17,18)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HMZMIBPZIFJSLM-QMMMGPOBSA-N |
