| PDB CCD ID: | BF9 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C22 H21 N3 O5 |
| InChI: | InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1 |
| InChIKey: | QQKMSEAMLFRSCX-GBQBQLPHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H](O)[C@H](N)C1=NC(=C/c2ccc(cc2)C(=O)c3ccccc3)\C(=O)N1CC(O)=O | | CACTVS 3.385 | C[CH](O)[CH](N)C1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N1CC(O)=O | | OpenEye OEToolkits 2.0.6 | CC(C(C1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N1CC(=O)O)N)O | | OpenEye OEToolkits 2.0.6 | C[C@@H]([C@@H](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=O)N1CC(=O)O)N)O | | ACDLabs 12.01 | c1ccccc1C(c3ccc(\C=C2\C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O |
|
| Name: | [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
PEPTIDE DERIVED CHROMOPHORE |
zhanggroup.org