Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(O)=O)C1=CC=CC=C1

InChIKey

InChIKey=XEHOYQWPFZDWJR-QEIHRNPNSA-N

Formula

C29H39N3O10

Mass

589.642

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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

Aromatic homomonocyclic compounds

Substituents

Isoleucine or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzyloxycarbonyl - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - N-acyl-amine - Carbamic acid ester - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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