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Glutathione Impurity 31

CAT: 1299-RM-G202031-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G202031-01Size:10 mg
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CAS Number
13081-14-6
Synonyms
N5- ((R) -3- (((R) -2-amino-2-carboxyethyl) disulfaneyl) -1- ((carboxymethyl) amino) -1-oxopropan-2-yl) -L-glutamine
Molecular Formula
C13H22N4O8S2
Molecular Weight
426.46
Target Alternative Name
Glutathione
Product Name Synonym
N5- ((R) -3- (((R) -2-amino-2-carboxyethyl) disulfaneyl) -1- ((carboxymethyl) amino) -1-oxopropan-2-yl) -L-glutamine

Chemical Information

Cysteine-glutathione disulfide

L-cysteine glutathione disulfide is an organic disulfide that is the L-cysteinyl derivative of glutathione. It has a role as a human metabolite. It is a glutathione derivative, an organic disulfide and a dicarboxylic acid monoamide.

CAS Number13081-14-6
PubChem CID10455148
IUPAC Name(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC13H22N4O8S2
Molecular Weight426.5
XLogP-7.7
Topological Polar Surface Area273
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity562
SMILES
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t6-,7-,8-/m0/s1
InChIKey
BNRXZEPOHPEEAS-FXQIFTODSA-N
Chemical Structure
2D Structure
2D structure of Cysteine-glutathione disulfide
CAS: 13081-14-6
CID: 10455148
Formula: C13H22N4O8S2
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP3-7.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass426.08790602
Monoisotopic Mass426.08790602
Topological Polar Surface Area273 Ų
Heavy Atom Count27
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-G01513-01Glutathione EP Impurity A
AR-G02520-01Glutathione Impurity 6
AR-G01516-01Glutathione Impurity 1
AR-G01518-01Glutathione Impurity 3
AR-G01517-01Glutathione Impurity 2
AR-G02532-01Glutathione Impurity 4
TBW01735Glutathione Impurity D
AR-G01504-01Glutathione EP Impurity C (Disulfide Impurity)
AR-G02535-01Glutathione Impurity 1 HCl
AR-G02530-01Glutathione Impurity 1 DiHCl

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