Leu-Met - ≥97% , CAS No.36077-39-1

CAS: 36077-39-1 Cat. No.: L1033518 PubChem CID: 7010529

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CC(C)CC(C(=O)NC(CCSC)C(=O)O)N

IUPAC Name

(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid

InChIKey

NTISAKGPIGTIJJ-IUCAKERBSA-N

INCHI

1S/C11H22N2O3S/c1-7(2)6-8(12)10(14)13-9(11(15)16)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1

Isómeros SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N

CAS alternativo

36077-39-1

PubChem CID

7010529

Términos de entrada MeSH

Leu-Met;leucylmethionine

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Methionine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Thia fatty acids Branched fatty acids N-acyl amines Secondary carboxylic acid amides Amino acids Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - Methionine or derivatives - Leucine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Branched fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Fatty amide - N-acyl-amine - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Amine - Organic zwitterion - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: dipeptide

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

• Peso molecular: 262.370 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 262.135 Da
• Monoisotopic Mass: 262.135 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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