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CHEBI:64979 - γGluCys(IAN)Glu(2−)

ChEBI IDCHEBI:64979
ChEBI NameγGluCys(IAN)Glu(2−)
Stars
ASCII NamegammaGluCys(IAN)Glu(2-)
DefinitionA peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of γGluCys(IAN)Glu; major species at pH 7.3.
Last Modified18 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC23H25N5O8S
Net Charge-2
Average Mass531.547
Monoisotopic Mass531.14348
SMILESN#CC(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1cnc2ccccc12
InChIInChI=1S/C23H27N5O8S/c24-9-18(13-10-26-15-4-2-1-3-12(13)15)37-11-17(27-19(29)7-5-14(25)22(33)34)21(32)28-16(23(35)36)6-8-20(30)31/h1-4,10,14,16-18,26H,5-8,11,25H2,(H,27,29)(H,28,32)(H,30,31)(H,33,34)(H,35,36)/p-2/t14-,16-,17-,18?/m0/s1
InChIKeyVIFUUCKOHMULOK-PNQBHLATSA-L
ChEBI Ontology
Outgoing Relation(s)
γGluCys(IAN)Glu(2−) (CHEBI:64979) is a peptide anion (CHEBI:60334)
γGluCys(IAN)Glu(2−) (CHEBI:64979) is conjugate base of γGluCys(IAN)Glu (CHEBI:64978)
Incoming Relation(s)
γGluCys(IAN)Glu (CHEBI:64978) is conjugate acid of γGluCys(IAN)Glu(2−) (CHEBI:64979)
IUPAC Name 
(2S)-2-({N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-S-[cyano(1H-indol-3-yl)methyl]-L-cysteinyl}amino)pentanedioate
Synonyms  Source
γGluCys(IAN)Glu dianionChEBI
γ-L-Glu-L-Cys-(IAN)-L-Glu dianionChEBI