TPQ
Summary
| Name: | 5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE |
| Synonyms: | 5-(2-CARBOXY-2-AMINOETHYL)-4-HYDROXY-1,2-BENZOQUINONE 2,4,5-TRIHYDROXYPHENYLALANINE QUINONE; TOPA QUINONE |
| Formula: | C9 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 211.171 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(4-hydroxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=CC(=O)C(O)=C1)CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1=CC(=O)C(=CC1=O)O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC1=CC(=O)C(=CC1=O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)C=C(C1=O)O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | AGMJSPIGDFKRRO-YFKPBYRVSA-N |
