Acetyl-L-methionine sulfoxide - ≥98% , CAS No.108646-71-5

CAS: 108646-71-5 Cat. No.: A354243 Peso molecular: 207.25

GRADE & PURITY ≥98%

Synonyms

AKOS015909360 | F10544 | Ac-Met(O)-OH, AldrichCPR | SCHEMBL1129578 | AS-46801 | (2S)-2-(Acetylamino)-4-(methylsulfinyl)butanoic acid | (2S)-2-acetamido-4-methylsulfinylbutanoic acid | DTXSID60428600 | Butanoic acid,2-(acetylamino)-4-(methylsulfinyl)-,(2S)

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

AKOS015909360 | F10544 | Ac-Met(O)-OH, AldrichCPR | SCHEMBL1129578 | AS-46801 | (2S)-2-(Acetylamino)-4-(methylsulfinyl)butanoic acid | (2S)-2-acetamido-4-methylsulfinylbutanoic acid | DTXSID60428600 | Butanoic acid, 2-(acetylamino)-4-(methylsulfinyl)-, (2S)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC(CCS(=O)C)C(=O)O
• IUPAC Name: (2S)-2-acetamido-4-methylsulfinylbutanoic acid
• InChIKey: NPIMMZJBURSMON-YLTHGKPTSA-N
• INCHI: 1S/C7H13NO4S/c1-5(9)8-6(7(10)11)3-4-13(2)12/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-,13?/m0/s1
• Isómeros SMILES: CC(=O)N[C@@H](CCS(=O)C)C(=O)O
• Peso molecular: 207.25
• Reaxy-Rn: 2369606
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2369606&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: Thia fatty acids Acetamides Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Thia fatty acid - Fatty acid - Fatty acyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Sulfinyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 128-132° C
• Peso molecular: 207.250 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 207.057 Da
• Monoisotopic Mass: 207.057 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 229.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1