Glutathione-diethyl ester (reduced)

CAT: 0024-sc-295012ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-295012ASize:1 g

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CAS Number

97451-40-6

Chemical Information

Glutathione diethyl ester

CAS Number	97451-40-6
PubChem CID	175702
IUPAC Name	ethyl (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
Molecular Formula	C14H25N3O6S
Molecular Weight	363.43
XLogP	-0.8
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	24
Formal Charge	0
Complexity	446

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

CAS: 97451-40-6

CID: 175702

Formula: C14H25N3O6S

MW: 363.43

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.43
XLogP3	-0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	363.14640670
Monoisotopic Mass	363.14640670
Topological Polar Surface Area	138 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	446
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-295013	Glutathione-monoisopropyl ester (reduced)
sc-295013A	Glutathione-monoisopropyl ester (reduced)
sc-29094A	Glutathione, reduced
sc-29094	Glutathione, reduced
sc-478956	Pemetrexed Diethyl Ester
sc-396139	Amlodipine Diethyl Ester
sc-478693A	Phosphoric Acid Diethyl Ester
sc-478693B	Phosphoric Acid Diethyl Ester
sc-481434	Amlodipine Diethyl Ester Maleate
sc-478693	Phosphoric Acid Diethyl Ester

Catalog	Name
H-2238.0250	Glutathione-diethyl ester (reduced)
238775	Glutathione-diethyl ester (reduced) ≥90% (HPLC)
4015775.0100	Glutathione-monoethyl ester (reduced)
4025801.1	Glutathione-monoisopropyl ester (reduced)
G8136-01C	Glutathione monoisopropyl ester (Reduced)
FG03344-01	Glutathione reduced ethyl ester
MBS659585-01	Glutathione monoethyl ester (Reduced)
278247-01	Glutathione Monoethyl Ester, Reduced
4026208.1000	(Des-Gly) -Glutathione-monoethyl ester (reduced)
4026208.1	(Des-Gly)-Glutathione-monoethyl ester (reduced)