| PDB CCD ID: | QYX |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C16 H18 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/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12- |
| InChIKey: | NWLFIBLWZFPHLC-ATVHPVEESA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2 | | OpenEye OEToolkits 3.1.0.0 | CSCCC(=N)C1=[N+](C(=O)C(=N1)Cc2ccc(cc2)O)CC(=O)O | | OpenEye OEToolkits 3.1.0.0 | [H]/N=C(/CCSC)\C1=[N+](C(=O)C(=N1)Cc2ccc(cc2)O)CC(=O)O |
|
| Name: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid;
CHROMOPHORE (MET-TYR-GLY) |
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