Glutathione ethyl ester

CAT: 0127-BUP22775Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22775Size:5 mg

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CAS Number

92614-59-0

Purity

≥98%

Smiles

CCOC (=O) CNC (=O) [C@H] (CS) NC (=O) CC[C@H] (N) C (O) =O

Chemical Information

Glutathione Ethyl Ester

CAS Number	92614-59-0
PubChem CID	147253
IUPAC Name	(2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C12H21N3O6S
Molecular Weight	335.38
XLogP	-3.8
Topological Polar Surface Area	149
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	418

SMILES

CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)/t7-,8-/m0/s1

InChIKey

JKRODHBGNBKZLE-YUMQZZPRSA-N

Chemical Structure

2D Structure

CAS: 92614-59-0

CID: 147253

Formula: C12H21N3O6S

MW: 335.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.38
XLogP3	-3.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	335.11510657
Monoisotopic Mass	335.11510657
Topological Polar Surface Area	149 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	418
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
BIB6290-01	Glutathione reduced ethyl ester
BUP04223-01	Zinquin ethyl ester
BUP20990-01	Guvacine ethyl ester
OR1035847-01	Dabigatran (ethyl ester)
OR1037192	Valsartan Ethyl Ester
OR1039386-01	Glycylglycine ethyl ester (hydrochloride)
OR1023354-01	Tetramethylrhodamine Ethyl Ester Perchlorate
OR1031618	Pinolenic acid ethyl ester
BUP15937	Docosahexaenoic acid ethyl ester
OR928751-01	Sarcosine ethyl ester hydrochloride

Catalog	Name
B2307-10	Glutathione ethyl ester
GTR19113371-01	Glutathione ethyl ester acetate
FG03344-01	Glutathione reduced ethyl ester
166353	S- (α-Methylcarboxymethyl) glutathione Ethyl Ester
442719-01	Glutathione Ethyl Ester, Biotin Amide (BioGEE) discontinued
GTR19066045-01	Glutathione ethyl ester TFA (92614-59-0Free base)
G8135-37A-01	Glutathione S-Transferase pi (Glutathione S-transferase P, GST class-pi, GST3, GSTP1-1, GSTP1, FAEES3, Fatty acid ethyl ester synthase III)
G8135-37B-01	Glutathione S-Transferase pi (Glutathione S-transferase P, GST class-pi, GST3, GSTP1-1, GSTP1, FAEES3, Fatty acid ethyl ester synthase III) (Not for Export EU)
G8135-25E	Glutathione S-Transferase, pi (Glutathione S-transferase pi 1, GST Class-pi, GSTpi1, Glutathione S-transferase P, GSTP, GSTP1, GSTP1-1, DFN7, Fatty Acid Ethyl Ester Synthase III, FAEES3, GST3, HGNC:4638, PI)
G8135-26B	Glutathione S-Transferase, pi (Glutathione S-transferase pi 1, GST Class-pi, GSTpi1, Glutathione S-transferase P, GSTP, GSTP1, GSTP1-1, DFN7, Fatty Acid Ethyl Ester Synthase III, FAEES3, GST3, HGNC:4638, PI) discontinued