| PDB CCD ID: | CH7 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C17 H17 N3 O4 |
| InChI: | InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9- |
| InChIKey: | KWTZIKNBXSFKTQ-ZROIWOOFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC(=O)CN1C(=O)C(=C/c2ccc(O)cc2)/N=C1C3=NCCCC3 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C=C2C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O | | CACTVS 3.341 | OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C3=NCCCC3 | | ACDLabs 10.04 | O=C2C(\N=C(C1=NCCCC1)N2CC(=O)O)=C\c3ccc(O)cc3 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1\C=C/2\C(=O)N(C(=N2)C3=NCCCC3)CC(=O)O)O |
|
| Name: | [(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
CHROMOPHORE (LYS-TYR-GLY) |
| ZINC: | ZINC000058631728 |
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