| PDB CCD ID: | BF6 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C20 H17 N3 O4 |
| InChI: | InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10- |
| InChIKey: | HXSAGPWZHSXBJP-YBEGLDIGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C(=O)c2ccc(cc2)C=C3C(=O)N(C(=N3)CN)CC(=O)O | | CACTVS 3.385 | NCC1=NC(=C/c2ccc(cc2)C(=O)c3ccccc3)\C(=O)N1CC(O)=O | | ACDLabs 12.01 | C(=C1\N=C(CN)N(CC(O)=O)C1=O)\c3ccc(C(c2ccccc2)=O)cc3 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C(=N3)CN)CC(=O)O | | CACTVS 3.385 | NCC1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N1CC(O)=O |
|
| Name: | [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
PEPTIDE DERIVED CHROMOPHORE |
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