4G8

4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID

Created:	2010-08-25
Last modified:	2011-06-04

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1 entries where 4G8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	18

2D diagram of 4G8

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Chemical Component Summary
Name	4-[BENZYL(CARBOXYMETHYL)CARBAMOYL]-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	5-(carboxymethyl-(phenylmethyl)carbamoyl)-2-phenyl-3H-imidazole-4-carboxylic acid
Formula	C₂₀ H₁₇ N₃ O₅
Molecular Weight	379.366
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CN(C(=O)c2nc(c1ccccc1)nc2C(=O)O)Cc3ccccc3
SMILES	CACTVS	3.352	OC(=O)CN(Cc1ccccc1)C(=O)c2nc([nH]c2C(O)=O)c3ccccc3
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O
Canonical SMILES	CACTVS	3.352	OC(=O)CN(Cc1ccccc1)C(=O)c2nc([nH]c2C(O)=O)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O
InChI	InChI	1.03	InChI=1S/C20H17N3O5/c24-15(25)12-23(11-13-7-3-1-4-8-13)19(26)16-17(20(27)28)22-18(21-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,21,22)(H,24,25)(H,27,28)
InChIKey	InChI	1.03	RQTWYFDJDQNTLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49835939

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