CR2
Summary
| Name: | {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| Synonyms: | CHROMOPHORE (GLY-TYR-GLY) |
| Formula: | C13 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 275.26 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(\N=C(N1CC(=O)O)CN)=C\c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCC1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | NCC1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5- |
| InChIKey | InChI | 1.03 | IZZXWFHPOZIXIE-YHYXMXQVSA-N |
