| PDB CCD ID: | GYC |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H15 N3 O4 S |
| InChI: | InChI=1S/C14H15N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-5,10,18,22H,6-7,15H2,(H,19,20)/b11-5-/t10-/m0/s1 |
| InChIKey: | YINRVYIMXSNUJH-QIMWGGGBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.5 | c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O)O | | CACTVS 3.385 | N[C@@H](CS)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O | | OpenEye OEToolkits 1.7.5 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O)O | | CACTVS 3.385 | N[CH](CS)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | | ACDLabs 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)CS)=C\c2ccc(O)cc2 |
|
| Name: | [(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID;
CHROMOPHORE (CYS-TYR-GLY) |
| ZINC: | ZINC000098208975 |
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