Structure Information
Structure

Compound Identification

SMILES

CCC(C)[C@H](NC(=O)CC1=CC=C(NC(=O)NC2=CC=CC=C2C)C=C1)C(=O)N1CCC(CC1)[C@H](C(O)=O)C(=O)C1=C(Cl)C=CC=C1Cl

InChIKey

InChIKey=BJQICMIEPQEMIP-IZVOWONESA-N

Formula

C36H40Cl2N4O6

Mass

695.64

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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 heteromonocyclic compounds

Substituents

Isoleucine or derivatives - Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - N-phenylurea - Phenylacetamide - Phenylketone - N-acyl-piperidine - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Aryl ketone - Beta-keto acid - Chlorobenzene - Halobenzene - Toluene - 1,3-dicarbonyl compound - Benzenoid - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Aryl chloride - Keto acid - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Secondary carboxylic acid amide - Urea - Ketone - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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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