QFG

{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

Created:	2011-10-13
Last modified:	2024-09-27

Find Related PDB Entry
2 entries where QFG is found in a polymer sequence

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of QFG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Synonyms	CHROMOPHORE (GLN-PHE-GLY)
Systematic Name (OpenEye OEToolkits)	2-[(4E)-2-(4-azanyl-4-oxidanylidene-butanimidoyl)-5-oxidanylidene-4-(phenylmethylidene)imidazol-1-yl]ethanoic acid
Formula	C₁₆ H₁₆ N₄ O₄
Molecular Weight	328.323
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(\N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc2
SMILES	CACTVS	3.370	NC(=O)CCC(=N)C1=NC(=Cc2ccccc2)C(=O)N1CC(O)=O
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C=C2C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O
Canonical SMILES	CACTVS	3.370	NC(=O)CCC(=N)C1=NC(=C/c2ccccc2)/C(=O)N1CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	[H]/N=C(\CCC(=O)N)/C1=N/C(=C/c2ccccc2)/C(=O)N1CC(=O)O
InChI	InChI	1.03	InChI=1S/C16H16N4O4/c17-11(6-7-13(18)21)15-19-12(8-10-4-2-1-3-5-10)16(24)20(15)9-14(22)23/h1-5,8,17H,6-7,9H2,(H2,18,21)(H,22,23)/b12-8+,17-11+
InChIKey	InChI	1.03	IGVCVMFOYFLVPY-INQCZNILSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.