S-Acetyl-L-glutathione - ≥95% , CAS No.3054-47-5

CAS: 3054-47-5 Cat. No.: S303388 Molecular Weight: 349.36 EC Number: 221-275-5 PubChem CID: 102929

GRADE & PURITY ≥95%

Synonyms

S-acetyl-L-glutathione|S-Acetylglutathione|3054-47-5|5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid|MFCD09952588|glutathione-S-acetate|Glycine, L-gamma-glutamyl-S-acetyl-L-cysteinyl-|SCHEMBL420277|DTXSID609

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

S-acetyl-L-glutathione | S-Acetylglutathione | 3054-47-5 | 5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid | MFCD09952588 | glutathione-S-acetate | Glycine, L-gamma-glutamyl-S-acetyl-L-cysteinyl- | SCHEMBL420277 | DTXSID609

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756540
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756540
• Canonical Smiles: CC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• IUPAC Name: 5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid
• InChIKey: FVRWSIPJNWXCEO-UHFFFAOYSA-N
• INCHI: 1S/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)
• Isomeric SMILES: CC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• PubChem CID: 102929
• Molecular Weight: 349.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives Alpha amino acids N-acyl amines Fatty acids and conjugates Dicarboxylic acids and derivatives Thioesters Secondary carboxylic acid amides Amino acids Carbothioic S-esters Sulfenyl compounds Carboxylic acids Monoalkylamines Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acyl-amine - Fatty acyl - Fatty amide - Dicarboxylic acid or derivatives - Fatty acid - Secondary carboxylic acid amide - Amino acid or derivatives - Thiocarboxylic acid ester - Carboxamide group - Carbothioic s-ester - Amino acid - Sulfenyl compound - Carboxylic acid - Thiocarboxylic acid or derivatives - Organosulfur compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°C): 419.6°C
• Boil Point(°C): 770.2°C at 760 mmHg
• Molecular Weight: 349.360 g/mol
• XLogP3: -4.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 349.094 Da
• Monoisotopic Mass: 349.094 Da
• Topological Polar Surface Area: 201.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 483.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1