Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(N)C(=O)OCOC(=O)OC1=C(C=CC(F)=C1[C@@H]1C[C@@H]1NC(=O)NC1=NC=C(Br)C=C1)C(=O)CC

InChIKey

InChIKey=WEILHACQFHLLEO-HZGDXXBOSA-N

Formula

C26H30BrFN4O7

Mass

609.449

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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 - Alpha-amino acid ester - Alkyl-phenylketone - Phenylpropane - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Phenoxy compound - Fluorobenzene - Fatty acid ester - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Carbonic acid diester - Monocyclic benzene moiety - Pyridine - Benzenoid - Fatty acyl - Imidolactam - Heteroaromatic compound - Urea - Carboxylic acid ester - Carbonic acid derivative - Ketone - Acetal - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aldehyde - 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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