L 703014 , CAS No.142638-79-7

CAS: 142638-79-7 Cat. No.: L939263 Fórmula: C₂₄H₃₄N₄O₄ Peso molecular: 442.600

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

ANTAGONIST

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1CCCC(=O)NCC(=O)N[C@H](CCC2=CNC3=CC=CC=C32)CC(=O)O
• IUPAC Name: (3R)-5-(1H-indol-3-yl)-3-[[2-(4-piperidin-4-ylbutanoylamino)acetyl]amino]pentanoic acid
• InChIKey: CEYGRENFNCKRRG-LJQANCHMSA-N
• INCHI: 1S/C24H34N4O4/c29-22(7-3-4-17-10-12-25-13-11-17)27-16-23(30)28-19(14-24(31)32)9-8-18-15-26-21-6-2-1-5-20(18)21/h1-2,5-6,15,17,19,25-26H,3-4,7-14,16H2,(H,27,29)(H,28,30)(H,31,32)/t19-/m1/s1
• Peso molecular: 442.600

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides Beta amino acids and derivatives 3-alkylindoles Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Piperidines Benzenoids Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hybrid peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - N-acyl-amine - Fatty acyl - Fatty acid - Piperidine - Fatty amide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 442.600 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 442.258 Da
• Monoisotopic Mass: 442.258 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 623.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 142638-79-7, the molecular formula is C24H34N4O4, and the molecular weight is 442.600 g/mol. InChIKey CEYGRENFNCKRRG-LJQANCHMSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.