H-Gly-Ala-Hyp-OH - ≥95% , CAS No.22028-81-5

CAS: 22028-81-5 Cat. No.: H966393 PubChem CID: 11902974

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)N1CC(CC1C(=O)O)O)NC(=O)CN
• IUPAC Name: (2S,4R)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
• InChIKey: KGGYQPXQVMSTRG-XVMARJQXSA-N
• INCHI: 1S/C10H17N3O5/c1-5(12-8(15)3-11)9(16)13-4-6(14)2-7(13)10(17)18/h5-7,14H,2-4,11H2,1H3,(H,12,15)(H,17,18)/t5-,6+,7-/m0/s1
• Isómeros SMILES: C[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)NC(=O)CN
• PubChem CID: 11902974

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid salts Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-acylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Amino acid - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

Propiedades químicas y físicas

• Peso molecular: 259.260 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 259.117 Da
• Monoisotopic Mass: 259.117 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 359.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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