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Glutathione diethyl ester

CAT: 0804-HY-P5069Size: 1 EachDry Ice: NoHazardous: No
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Description
Glutathione diethyl ester is a delivery agent for glutathione monoester, and thus for glutathione, in human cells and therefore could serve to decrease oxidative stress and toxicity[1].
CAS Number
97451-40-6
UNSPSC
12352209
Target
Endogenous Metabolite
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/glutathione-diethyl-ester.html
Solubility
10 mM in DMSO
Smiles
CCOC(CNC([C@H](CS)NC(CC[C@H](N)C(OCC)=O)=O)=O)=O
Molecular Formula
C14H25N3O6S
Molecular Weight
363.43
References & Citations
[1]E J Levy, et al. Transport of glutathione diethyl ester into human cells. Proc Natl Acad Sci U S A. 1993 Oct 1;90 (19) :9171-5.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Glutathione diethyl ester
CAS Number97451-40-6
PubChem CID175702
IUPAC Nameethyl (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
Molecular FormulaC14H25N3O6S
Molecular Weight363.43
XLogP-0.8
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity446
SMILES
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)OCC)N
InChI
InChI=1S/C14H25N3O6S/c1-3-22-12(19)7-16-13(20)10(8-24)17-11(18)6-5-9(15)14(21)23-4-2/h9-10,24H,3-8,15H2,1-2H3,(H,16,20)(H,17,18)/t9-,10-/m0/s1
InChIKey
IYXATRBAHYMOQL-UWVGGRQHSA-N
Chemical Structure
2D Structure
2D structure of Glutathione diethyl ester
CAS: 97451-40-6
CID: 175702
Formula: C14H25N3O6S
MW: 363.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.43
XLogP3-0.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass363.14640670
Monoisotopic Mass363.14640670
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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