TFQ

4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE

Created:	2007-05-31
Last modified:	2011-06-04

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1 entries where TFQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	6

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Chemical Component Summary
Name	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-[4-(2,2,2-trifluoroethyl)phenyl]propanoic acid
Formula	C₁₁ H₁₂ F₃ N O₂
Molecular Weight	247.214
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)Cc1ccc(cc1)CC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](Cc1ccc(CC(F)(F)F)cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1CC(C(=O)O)N)CC(F)(F)F
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1ccc(CC(F)(F)F)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F
InChI	InChI	1.03	InChI=1S/C11H12F3NO2/c12-11(13,14)6-8-3-1-7(2-4-8)5-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1
InChIKey	InChI	1.03	VXIZYDKGLBPCAQ-VIFPVBQESA-N

Drug Info: DrugBank

DrugBank ID	DB08617
Name	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE
Groups	experimental
Synonyms	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine--tRNA ligase, cytoplasmic	MGDAPSPEEKLHLITRNLQEVLGEEKLKEILKERELKIYWGTATTGKPHV...	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