D-Alanyl-L-glutamine - ≥97% , CAS No.205252-36-4

CAS: 205252-36-4 Cat. No.: D1020168 Fórmula: C₈H₁₅N₃O₄ Peso molecular: 217.220

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N

IUPAC Name

(2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoic acid

InChIKey

HJCMDXDYPOUFDY-UHNVWZDZSA-N

INCHI

1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5+/m1/s1

Peso molecular

217.220

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Glutamine and derivatives Alpha amino acid amides N-acyl-L-glutamines Alanine and derivatives Fatty amides Fatty acids and conjugates Quaternary ammonium salts Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Carbonyl compounds Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha peptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - N-acyl-l-glutamine - Alanine or derivatives - Alpha-amino acid or derivatives - Fatty amide - Fatty acid - Fatty acyl - Quaternary ammonium salt - Amino acid or derivatives - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid salt - Amino acid - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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

Propriedades químicas e físicas

• Peso molecular: 217.220 g/mol
• XLogP3: -4.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 217.106 Da
• Monoisotopic Mass: 217.106 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 267.000
• 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