GYS
[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Created: | 2006-05-30 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 1 |
Bond Count | 38 |
Aromatic Bond Count | 6 |
Chemical Component 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) |
Systematic Name (OpenEye OEToolkits) | 2-[(4Z)-2-[(1R)-1-azanyl-2-oxidanyl-ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Formula | C14 H15 N3 O5 |
Molecular Weight | 305.286 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)CO)=C\c2ccc(O)cc2 |
SMILES | CACTVS | 3.385 | N[CH](CO)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(CO)N)CC(=O)O)O |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](CO)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1/C=C\2/C(=O)N(C(=N2)[C@H](CO)N)CC(=O)O)O |
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 |
Drug Info: DrugBank
DrugBank ID | DB03537 |
---|---|
Name | [4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid |
Groups | experimental |
Synonyms | [4-(4-Hydroxy-Benzyl)-2-(2-Hydroxy-1-Methyl-Ethyl)-5-Oxo-Imidazolidin-1-Yl]-Acetic Acid |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 49867069 |