(R)-2-Amino-3-(2-propynylthio)propanoic acid - ≥95% , CAS No.3262-64-4

CAS: 3262-64-4 Cat. No.: R183709 Peso molecular: 159.2 Número EC: 889-797-1 PubChem CID: 22789047

GRADE & PURITY ≥95%

Synonyms

DTXSID20628366 | AS-75762 | s-propargyl-cysteine | MFCD06809960 | J-502176 | (2R)-2-amino-3-prop-2-ynylsulfanylpropanoic acid | (R)-2-Amino-3-(prop-2-yn-1-ylthio)propanoic acid | S-Prop-2-yn-1-yl-L-cysteine | (R)-2-Amino-3-(prop-2-ynylthio)propanoic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID20628366 | AS-75762 | s-propargyl-cysteine | MFCD06809960 | J-502176 | (2R)-2-amino-3-prop-2-ynylsulfanylpropanoic acid | (R)-2-Amino-3-(prop-2-yn-1-ylthio)propanoic acid | S-Prop-2-yn-1-yl-L-cysteine | (R)-2-Amino-3-(prop-2-ynylthio)propanoic acid

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488200226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200226
• Sonrisas canónicas: C#CCSCC(C(=O)O)N
• IUPAC Name: (2R)-2-amino-3-prop-2-ynylsulfanylpropanoic acid
• InChIKey: JAKVEOCMEMGHGB-YFKPBYRVSA-N
• INCHI: 1S/C6H9NO2S/c1-2-3-10-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
• Isómeros SMILES: C#CCSC[C@@H](C(=O)O)N
• PubChem CID: 22789047
• Peso molecular: 159.2

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 Cysteine and derivatives
              • Level8 L-cysteine-S-conjugates

• 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 - Cysteine and derivatives
• Direct Parent: L-cysteine-S-conjugates
• Alternative Parents: L-alpha-amino acids Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Acetylides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-cysteine-s-conjugate - Alpha-amino acid - L-alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Acetylide - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
• 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

• Peso molecular: 159.210 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 159.035 Da
• Monoisotopic Mass: 159.035 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 160.000
• 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