GRR

(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid

Created:	2008-02-28
Last modified:	2011-06-04

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1 entries where GRR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	12

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Chemical Component Summary
Name	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-(4-ethylphenoxy)-3-phenyl-propanoic acid
Formula	C₁₇ H₁₈ O₃
Molecular Weight	270.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2
SMILES	CACTVS	3.341	CCc1ccc(O[CH](Cc2ccccc2)C(O)=O)cc1
SMILES	OpenEye OEToolkits	1.5.0	CCc1ccc(cc1)OC(Cc2ccccc2)C(=O)O
Canonical SMILES	CACTVS	3.341	CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
InChIKey	InChI	1.03	CJMVTSLLWMPEKQ-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB07842
Name	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
Groups	experimental
Synonyms	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682