Chemical Component Summary

NameS-BENZYL-GLUTATHIONE
Identifiers(2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-(carboxymethylamino)-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
FormulaC17 H23 N3 O6 S
Molecular Weight397.446
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChIInChI=1S/C17H23N3O6S/c18-12(17(25)26)6-7-14(21)20-13(16(24)19-8-15(22)23)10-27-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10,18H2,(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t12-,13-/m0/s1
InChIKeyXYJWEQWNNKNSFU-STQMWFEESA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count2
Bond Count50
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB03602 
NameS-benzylglutathione
Groups experimental
Synonyms
  • S-benzyl-glutathione
  • S-benzylglutathione
Categories
  • Amino Acids, Peptides, and Proteins
  • Lactoylglutathione Lyase, antagonists & inhibitors
  • Oligopeptides
  • Peptides

Drug Targets

NameTarget SequencePharmacological ActionActions
Lactoylglutathione lyaseMAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYT...unknown
Glutathione S-transferase A1MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...unknown
Glutathione S-transferase A1MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...unknownligand
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
PubChem 445707