| PDB CCD ID: | CR2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H13 N3 O4 |
| InChI: | 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: | IZZXWFHPOZIXIE-YHYXMXQVSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(ccc1C=C2C(=O)N(C(=N2)CN)CC(=O)O)O | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1\C=C/2\C(=O)N(C(=N2)CN)CC(=O)O)O | | ACDLabs 10.04 | O=C1C(\N=C(N1CC(=O)O)CN)=C\c2ccc(O)cc2 | | CACTVS 3.341 | NCC1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O | | CACTVS 3.341 | NCC1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
|
| Name: | {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
CHROMOPHORE (GLY-TYR-GLY) |
| DrugBank: | DB03998 |
| ZINC: | ZINC000058632170 |
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