Structure Information
Structure

Compound Identification

SMILES

[Na+].CC[C@H](C)[C@H](N)C(O)=O.NCCC[C@H](N)C(O)=O.[O-]C(=O)CCCC1=CC=CC=C1

InChIKey

InChIKey=CCLDHIMYIQJOOR-QWHCGRIQSA-M

Formula

C21H36N3NaO6

Mass

449.524

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

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

Molecular Framework

Not available

Substituents

Isoleucine or derivatives - Alpha-amino acid - L-alpha-amino acid - Branched fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Fatty acid - Amino acid - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic cation - Aromatic homomonocyclic compound

Description

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

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