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

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50 entries where GYS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	6

2D diagram of GYS

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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

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