7R6
Summary
| Name: | 2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
| Synonyms: | RED CHROMOPHORE (HIS, TYR, GLY) |
| Formula: | C17 H14 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 338.317 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{E})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7+ |
| InChIKey | InChI | 1.03 | STRYMBWJHWRMBE-OPACAPKMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN1C(=O)C(=C/c2ccc(O)cc2)\N=C1\C=C\c3c[nH]cn3 |
| SMILES | CACTVS | 3.385 | OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/2\C(=O)N(C(=N2)/C=C/c3c[nH]cn3)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C2C(=O)N(C(=N2)C=Cc3c[nH]cn3)CC(=O)O)O |
