GYS
Summary
| Name: | [(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID |
| Synonyms: | CHROMOPHORE (SER-TYR-GLY) |
| Formula: | C14 H15 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 305.286 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(4Z)-2-[(1R)-1-azanyl-2-oxidanyl-ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)CO)=C\c2ccc(O)cc2 |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | XSUILVORURXWDH-QIMWGGGBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CO)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CO)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(CO)N)CC(=O)O)O |
