Chemical Component Summary

NameBENZYLCYSTEINE
Identifiers(2R)-2-amino-3-benzylsulfanyl-propanoic acid
FormulaC10 H13 N O2 S
Molecular Weight211.281
TypeL-PEPTIDE LINKING
Isomeric SMILESc1ccc(cc1)CSC[C@@H](C(=O)O)N
InChIInChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyGHBAYRBVXCRIHT-VIFPVBQESA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count27
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04531 
NameS-Benzylcysteine
Groups experimental
Synonyms
  • S-Benzylcysteine
  • 3-Benzylthioalanine
  • (R)-S-Benzylcysteine
  • L-S-Benzylcysteine
Categories
  • Amino Acids
  • Amino Acids, Neutral
  • Amino Acids, Peptides, and Proteins
  • Amino Acids, Sulfur
  • Sulfhydryl Compounds
CAS number3054-01-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Methylated-DNA--protein-cysteine methyltransferaseMDKDCEMKRTTLDSPLGKLELSGCEQGLHEIKLLGKGTSAADAVEVPAPA...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
PubChem 6951294, 193613
ChEMBL CHEMBL63130
ChEBI CHEBI:145803