Homocarnosine - ≥98% , CAS No.3650-73-5

CAS: 3650-73-5 Cat. No.: H710619 Molecular Weight: 240.26 PubChem CID: 10243361

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Product Properties

• ALogP: -3.6

Names and Identifiers

• Canonical Smiles: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN
• IUPAC Name: (2S)-2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
• InChIKey: CCLQKVKJOGVQLU-QMMMGPOBSA-N
• INCHI: 1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN
• PubChem CID: 10243361
• Molecular Weight: 240.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Histidine and derivatives N-acyl-L-alpha-amino acids Gamma amino acids and derivatives Imidazolyl carboxylic acids and derivatives N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid peptide - Histidine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Gamma amino acid or derivatives - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - N-acyl-amine - Fatty amide - Fatty acyl - Azole - Imidazole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Primary amine - Organooxygen compound - Primary aliphatic amine - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• External Descriptors: L-histidine derivative - N-acyl-L-alpha-amino acid - homocarnosine

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 240.260 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 240.122 Da
• Monoisotopic Mass: 240.122 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 272.000
• 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