NRP
Summary
| Name: | {4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| Synonyms: | CHROMOPHORE (LEU-TYR-GLY) |
| Formula: | C17 H19 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 329.35 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(4E)-4-(4-hydroxybenzylidene)-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-[4-[(4-hydroxyphenyl)methylidene]-2-(3-methylbutanimidoyl)-5-oxo-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(\N=C(C(=[N@H])CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CC(=N)C1=NC(=C/c2ccc(O)cc2)/C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)CC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H19N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,18,21H,7,9H2,1-2H3,(H,22,23)/b14-8+,18-13+ |
| InChIKey | InChI | 1.03 | BJIZAOIYQSFLFE-VHQTWSSFSA-N |
