Thr-Gly - ≥97% , CAS No.686-44-2

CAS: 686-44-2 Cat. No.: T1030510 PubChem CID: 7010576

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(C(=O)NCC(=O)O)N)O
• IUPAC Name: 2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetic acid
• InChIKey: BIYXEUAFGLTAEM-WUJLRWPWSA-N
• INCHI: 1S/C6H12N2O4/c1-3(9)5(7)6(12)8-2-4(10)11/h3,5,9H,2,7H2,1H3,(H,8,12)(H,10,11)/t3-,5+/m1/s1
• Isómeros SMILES: C[C@H]([C@@H](C(=O)NCC(=O)O)N)O
• CAS alternativo: 686-44-2
• PubChem CID: 7010576
• Términos de entrada MeSH: Gly-Thr;glycyl-threonine

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: N-acyl-alpha amino acids Alpha amino acid amides N-acyl amines Secondary carboxylic acid amides Secondary alcohols Amino acids Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Organic salts Carbonyl compounds Organic zwitterions Organic oxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Amine - Alcohol - Organic zwitterion - 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: 176.170 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 176.08 Da
• Monoisotopic Mass: 176.08 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• 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