| PDB CCD ID: | CQ2 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H18 N4 O4 |
| InChI: | InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1 |
| InChIKey: | HNVLCUZQPYOAQU-OQPBUACISA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)=C\c2ccc(N)cc2 | | OpenEye OEToolkits 1.7.6 | C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O | | OpenEye OEToolkits 1.7.6 | CC(C(C1=NC(=Cc2ccc(cc2)N)C(=O)N1CC(=O)O)N)O | | CACTVS 3.370 | C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(N)cc2)C(=O)N1CC(O)=O | | CACTVS 3.370 | C[CH](O)[CH](N)C1=NC(=Cc2ccc(N)cc2)C(=O)N1CC(O)=O |
|
| Name: | {(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
PEPTIDE DERIVED CHROMOPHORE |
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