CRQ

[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID

Created:	2000-10-19
Last modified:	2024-09-27

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51 entries where CRQ is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

2D diagram of CRQ

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Chemical Component Summary
Name	[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID
Synonyms	CHROMOPHORE (GLN-TYR-GLY)
Systematic Name (OpenEye OEToolkits)	2-[(4Z)-2-(4-azanyl-4-oxidanylidene-butanimidoyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula	C₁₆ H₁₆ N₄ O₅
Molecular Weight	344.322
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\c2ccc(O)cc2
SMILES	CACTVS	3.370	NC(=O)CCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O
Canonical SMILES	CACTVS	3.370	NC(=O)CCC(=N)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(=N)CCC(=O)N)CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C16H16N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,17,21H,5-6,8H2,(H2,18,22)(H,23,24)/b12-7-,17-11+
InChIKey	InChI	1.03	AKDAWRYTXGWULZ-KAOAWJDNSA-N

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