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Glutathione EP Impurity C

CAT: 1299-RM-G202003-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G202003-01Size:10 mg
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CAS Number
27025-41-8
Synonyms
(2S,2'S) -5,5'- (((2R,2'R) -disulfanediylbis (1- ((carboxymethyl) amino) -1-oxopropane-3,2-diyl) ) bis (azanediyl) ) bis (2-amino-5-oxopentanoic acid)
Molecular Formula
C20H32N6O12S2
Molecular Weight
612.63
Target Alternative Name
Glutathione
Product Name Synonym
(2S,2'S) -5,5'- (((2R,2'R) -disulfanediylbis (1- ((carboxymethyl) amino) -1-oxopropane-3,2-diyl) ) bis (azanediyl) ) bis (2-amino-5-oxopentanoic acid)

Chemical Information

Glutathione Disulfide

Glutathione disulfide is a glutathione derivative and an organic disulfide. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a glutathione disulfide(2-).

CAS Number27025-41-8
PubChem CID65359
IUPAC Name(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC20H32N6O12S2
Molecular Weight612.6
XLogP-9.1
Topological Polar Surface Area368
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Heavy Atom Count40
Formal Charge0
Complexity879
SMILES
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
InChIKey
YPZRWBKMTBYPTK-BJDJZHNGSA-N
Chemical Structure
2D Structure
2D structure of Glutathione Disulfide
CAS: 27025-41-8
CID: 65359
Formula: C20H32N6O12S2
MW: 612.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight612.6
XLogP3-9.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Exact Mass612.15196282
Monoisotopic Mass612.15196282
Topological Polar Surface Area368 Ų
Heavy Atom Count40
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-G01513-01Glutathione EP Impurity A
AR-G02520-01Glutathione Impurity 6
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