N-(3-Indolylacetyl)-L-leucine - ≥95% , CAS No.36838-63-8

CAS: 36838-63-8 Cat. No.: N339644 Peso molecular: 288.34

GRADE & PURITY ≥95%

Synonyms

(2S)-2-[2-(1H-INDOL-3-YL)ACETAMIDO]-4-METHYLPENTANOIC ACID | (2-(1H-indol-3-yl)acetyl)-L-leucine | N-(indole-3-acetyl)-L-leucine | (S)-2-(2-(1H-Indol-3-yl)acetamido)-4-methylpentanoic acid | IAA-Leu | L-Leucine, N-(1H-indol-3-ylacetyl)- | HCZNPUHZYPPINM-A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(2S)-2-[2-(1H-INDOL-3-YL)ACETAMIDO]-4-METHYLPENTANOIC ACID | (2-(1H-indol-3-yl)acetyl)-L-leucine | N-(indole-3-acetyl)-L-leucine | (S)-2-(2-(1H-Indol-3-yl)acetamido)-4-methylpentanoic acid | IAA-Leu | L-Leucine, N-(1H-indol-3-ylacetyl)- | HCZNPUHZYPPINM-A

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488191087
• Sonrisas canónicas: CC(C)CC(C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
• IUPAC Name: (2S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methylpentanoic acid
• InChIKey: HCZNPUHZYPPINM-AWEZNQCLSA-N
• INCHI: 1S/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1
• Isómeros SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
• WGK Alemania: 3
• Peso molecular: 288.34
• Reaxy-Rn: 35058
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35058&ln=

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 Leucine 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: Leucine and derivatives
• Alternative Parents: N-acyl-L-alpha-amino acids 3-alkylindoles Substituted pyrroles Benzenoids 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 heteropolycyclic compounds
• Substituents: Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - 3-alkylindole - Indole - Indole or derivatives - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: N-acyl-L-amino acid - L-leucine derivative - indoleacetic acid amide conjugate

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

• Solubilidad: Soluble in water, and ethanol.
• Sensibilidad: moisture sensitive；air sensitive
• Índice de refracción: n20D1.61 (Predicted)
• Rotación específica [α]: α20/D -17°, c = 3 in ethanol
• Punto de inflamación (°C): 311.45 °C
• Punto de ebullición (°C): 591.37° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 198-200° C (lit.)
• Peso molecular: 288.340 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 288.147 Da
• Monoisotopic Mass: 288.147 Da
• Topological Polar Surface Area: 82.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 384.000
• 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