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CHEBI:133883 - S-[(2-phenylethyl)carbamothioyl]glutathione(1−)

ChEBI IDCHEBI:133883
ChEBI NameS-[(2-phenylethyl)carbamothioyl]glutathione(1−)
Stars
ASCII NameS-[(2-phenylethyl)carbamothioyl]glutathione(1-)
DefinitionA peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-[(2-phenylethyl)carbamothioyl]glutathione; major species at pH 7.3.
Last Modified6 March 2017
Submittergemma
DownloadsMolfile
FormulaC19H25N4O6S2
Net Charge-1
Average Mass469.565
Monoisotopic Mass469.12210
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C19H26N4O6S2/c20-13(18(28)29)6-7-15(24)23-14(17(27)22-10-16(25)26)11-31-19(30)21-9-8-12-4-2-1-3-5-12/h1-5,13-14H,6-11,20H2,(H,21,30)(H,22,27)(H,23,24)(H,25,26)(H,28,29)/p-1/t13-,14-/m0/s1
InChIKeyWSGBVCNCZSZCGE-KBPBESRZSA-M
ChEBI Ontology
Outgoing Relation(s)
S-[(2-phenylethyl)carbamothioyl]glutathione(1−) (CHEBI:133883) is a peptide anion (CHEBI:60334)
S-[(2-phenylethyl)carbamothioyl]glutathione(1−) (CHEBI:133883) is conjugate base of S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426)
Incoming Relation(s)
S-[(2-phenylethyl)carbamothioyl]glutathione (CHEBI:136426) is conjugate acid of S-[(2-phenylethyl)carbamothioyl]glutathione(1−) (CHEBI:133883)
IUPAC Name 
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-{[(2-phenylethyl)carbamothioyl]sulfanyl}propan-2-yl]amino}-5-oxopentanoate
Synonym  Source
phenethyl thiocyanoglutathione(1−)ChEBI
Citations