N-Acetyl-S-allyl-L-cysteine - ≥97% , CAS No.23127-41-5

CAS: 23127-41-5 Cat. No.: N351953 Peso molecular: 203.26

GRADE & PURITY ≥97%

Synonyms

N-Acetyl-S-allylcysteine | N-Acetyl-S-allyl-L-cysteine | HY-114976 | CHEBI:189718 | L-Cysteine, N-acetyl-S-2-propen-1-yl- | DTXSID20945803 | (R)-2-Acetamido-3-(allylthio)propanoic acid | SCHEMBL4668975 | starbld0019571 | N-Acetyl-S-2-propen-1-yl-L-cystein

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

N-Acetyl-S-allyl-L-cysteine is a component of garlic which revealed antiplatelet, antithrombotic activity, and reduced LDL oxidation which indicated their possible use for treatment of cardiovascular disease.

Specifications

Sinónimos

N-Acetyl-S-allylcysteine | N-Acetyl-S-allyl-L-cysteine | HY-114976 | CHEBI:189718 | L-Cysteine, N-acetyl-S-2-propen-1-yl- | DTXSID20945803 | (R)-2-Acetamido-3-(allylthio)propanoic acid | SCHEMBL4668975 | starbld0019571 | N-Acetyl-S-2-propen-1-yl-L-cystein

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC(CSCC=C)C(=O)O
• IUPAC Name: (2R)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid
• InChIKey: LKRAEHUDIUJBSF-ZETCQYMHSA-N
• INCHI: 1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1
• Isómeros SMILES: CC(=O)N[C@@H](CSCC=C)C(=O)O
• Peso molecular: 203.26
• Reaxy-Rn: 2097653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2097653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Cysteine and derivatives Acetamides Secondary carboxylic acid amides Allyl sulfur compounds Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Cysteine or derivatives - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Allyl sulfur compound - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 120-122° C
• Peso molecular: 203.260 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 203.062 Da
• Monoisotopic Mass: 203.062 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1