Palmitoyl carnosine , CAS No.324755-72-8

CAS: 324755-72-8 Cat. No.: P941382 Molecular Weight: 464.600

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O
• IUPAC Name: (2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
• InChIKey: LNXLHAWHHNDIDC-QFIPXVFZSA-N
• INCHI: 1S/C25H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)27-17-16-24(31)29-22(25(32)33)18-21-19-26-20-28-21/h19-20,22H,2-18H2,1H3,(H,26,28)(H,27,30)(H,29,31)(H,32,33)/t22-/m0/s1
• Molecular Weight: 464.600

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 Beta amino acids and derivatives Imidazolyl carboxylic acids and derivatives N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid peptide - Histidine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - Fatty amide - N-acyl-amine - Fatty acyl - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen 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: 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

Chemical and Physical Properties

• Molecular Weight: 464.600 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 21
• Exact Mass: 464.336 Da
• Monoisotopic Mass: 464.336 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 544.000
• 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