| PDB CCD ID: | GYS |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H15 N3 O5 |
| InChI: | InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1 |
| InChIKey: | XSUILVORURXWDH-QIMWGGGBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O | | ACDLabs 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)CO)=C\c2ccc(O)cc2 | | CACTVS 3.385 | N[C@@H](CO)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O | | OpenEye OEToolkits 1.7.6 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(CO)N)CC(=O)O)O | | CACTVS 3.385 | N[CH](CO)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
|
| Name: | [(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
CHROMOPHORE (SER-TYR-GLY) |
| DrugBank: | DB03537 |
| ZINC: | ZINC000058627013 |
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