| PDB CCD ID: | NRQ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H17 N3 O4 S |
| InChI: | InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,17,20H,6-7,9H2,1H3,(H,21,22)/b13-8-,17-12- |
| InChIKey: | QMTDZFYJRUOYRB-JEAYZUIJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | [H]N=C(CCSC)C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O | | OpenEye OEToolkits 1.5.0 | [H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O | | CACTVS 3.341 | CSCCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | | CACTVS 3.341 | CSCCC(=N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O | | ACDLabs 10.04 | O=C1C(\N=C(C(=[N@H])CCSC)N1CC(=O)O)=C\c2ccc(O)cc2 |
|
| Name: | {(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
CHROMOPHORE (MET-TYR-GLY) |
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