4BQ

(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid

Created: 2008-03-14
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count45
Aromatic Bond Count12
2D diagram of 4BQ
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Chemical Component Summary

Name(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
SynonymsN-[4-(phenylmethoxy)phenyl]-L-glutamine
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
FormulaC18 H20 N2 O4
Molecular Weight328.362
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CCC(=O)Nc2ccc(OCc1ccccc1)cc2
SMILESCACTVS3.341N[CH](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)COc2ccc(cc2)NC(=O)CCC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C18H20N2O4/c19-16(18(22)23)10-11-17(21)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyInChI1.03 BYSBXIPCDJNEBG-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank IDDB07102 
Name(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
Groups experimental
Synonyms(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Leukotriene A-4 hydrolaseMPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...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

Related Resource References

Resource NameReference
Pharos CHEMBL478381
PubChem 24768560, 44629678
ChEMBL CHEMBL478381