L-Isoleucine β-naphthylamide - ≥98% , CAS No.732-84-3

CAS: 732-84-3 Cat. No.: L487259 Fórmula: C₁₆H₂₀N₂O Peso molecular: 256.34 Número EC: 622-089-0 PubChem CID: 688499

GRADE & PURITY ≥98%

Synonyms

CHEBI:90473 | DTXSID30350904 | H-ILE-BETANA | Pentanamide,2-amino-3-methyl-N-2-naphthalenyl-,(2S,3S)- | HY-W142150 | L-isoleucine 2-naphthylamide | FD21829 | N-(beta-naphthyl)-L-isoleucinamide | N-isoleucyl-2-aminonaphthalene | L-Isoleucine beta-naphthyla

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

CHEBI:90473 | DTXSID30350904 | H-ILE-BETANA | Pentanamide,2-amino-3-methyl-N-2-naphthalenyl-,(2S,3S)- | HY-W142150 | L-isoleucine 2-naphthylamide | FD21829 | N-(beta-naphthyl)-L-isoleucinamide | N-isoleucyl-2-aminonaphthalene | L-Isoleucine beta-naphthyla

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCC(C)C(C(=O)NC1=CC2=CC=CC=C2C=C1)N

IUPAC Name

(2S,3S)-2-amino-3-methyl-N-naphthalen-2-ylpentanamide

InChIKey

CEZPKIGJZWWHJT-NHYWBVRUSA-N

INCHI

1S/C16H20N2O/c1-3-11(2)15(17)16(19)18-14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15H,3,17H2,1-2H3,(H,18,19)/t11-,15-/m0/s1

Isómeros SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N

PubChem CID

688499

Peso molecular

256.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Isoleucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Isoleucine and derivatives
• Alternative Parents: Alpha amino acid amides Naphthalenes N-arylamides Fatty amides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Isoleucine or derivatives - Alpha-amino acid amide - Naphthalene - N-arylamide - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 256.339 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 256.158 Da
• Monoisotopic Mass: 256.158 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 305.000
• 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