Phenylalanylphenylalanine methyl ester - ≥98% , CAS No.13082-29-6

CAS: 13082-29-6 Cat. No.: P1358167 Formula: C₁₉H₂₂N₂O₃ Peso molecolare: 326.4

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N
• IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
• InChIKey: FBKRSZZALAQRNH-IRXDYDNUSA-N
• INCHI: 1S/C19H22N2O3/c1-24-19(23)17(13-15-10-6-3-7-11-15)21-18(22)16(20)12-14-8-4-2-5-9-14/h2-11,16-17H,12-13,20H2,1H3,(H,21,22)/t16-,17-/m0/s1
• Peso molecolare: 326.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Amphetamines and derivatives Fatty acid esters Aralkylamines Fatty amides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid amide - Amphetamine or derivatives - Alpha-amino acid or derivatives - Aralkylamine - Fatty acid ester - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 326.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 326.163 Da
• Monoisotopic Mass: 326.163 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 401.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 13082-29-6, the molecular formula is C19H22N2O3, and the molecular weight is 326.4 g/mol. InChIKey FBKRSZZALAQRNH-IRXDYDNUSA-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.