Basic information
- CAS
2922-56-7- Standard SMILES
CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O- InChIKey
QTQDDTSVRVWHMO-BQBZGAKWSA-N- Molecular formula
- C11H19N3O6S
- Average molar mass
- 321.35 g/mol
- Monoisotopic mass
- 321.09945651
Names & identifiers
- Preferred name
- S-Methylglutathione
- IUPAC
- (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- S-Methylglutathione
- Molecular formula
- C11H19N3O6S
- Molecular weight
- 321.35
Names & synonyms
S-Methylglutathione2922-56-7S-Methyl glutathioneGlutathione esterL-gamma-Glutamyl-S-methyl-L-cysteinylglycineGlutathione S-methyl esterS-Methyl GSHOOW3025SR1DTXSID10183479CHEBI:141472Glycine, L-gamma-glutamyl-S-methyl-L-cysteinyl-Glycine, N-(N-L-gamma-glutamyl-S-methyl-L-cysteinyl)-
Show more names
S-methyl-GSHL-γGlu-S-Methyl-L-Cys-Gly-OHγGlu-3-(Methylthio)-Ala-Gly-OHGlycine, L-γ-glutamyl-S-methyl-L-cysteinyl-Glutathione S-methyl ester|||Glutathione ester|||S-Methyl glutathione2-Amino-5-((1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
(2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(methylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid(2S)-2-amino-5-(((1R)-2-(carboxymethylamino)-1-(methylsulfanylmethyl)-2-oxo-ethyl)amino)-5-oxo-pentanoic acidRefChem:884265DTXCID70105970S-METHYL-GLUTATHIONEL-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEUNII-OOW3025SR1(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Database identifiers
Properties
Computed structural properties
- XLogP
- -4.1
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 765.1 · 765.1±60.0 °C(Predicted)
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.21 · 2.21±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Water Solubility
- 35.71 mg/mL · Water: 35.71 mg/mL (111.12 mM)
- InChI
- 1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)
- InChIKey
- QTQDDTSVRVWHMO-UHFFFAOYSA-N
- SMILES
- CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
- FDA UNII
- 3025 SR1 · OOW3025SR1
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
Metabolism/MetabolitesMethylglutathione is a known human metabolite of 1-iodomethane.
Applications
UsesS-methylglutathione is a methionine containing peptide and glyoxylase inhibitor.
Suppliers32 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京阿克曼科技有限公司18001219251
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
1 records
Compound notes
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