Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NC(=O)C1=CC(=CC(=N1)C(=O)N1CCCC1CN1CCCCC1)C1=CC(=NC(=C1)C(=O)NCC1=CC=CC=C1Br)C(=O)N1CCCC1CN1CCCCC1)C(O)=O

InChIKey

InChIKey=BTFBJYRDTUSELO-UHFFFAOYSA-N

Formula

C47H61BrN8O6

Mass

913.959

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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 - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Bipyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - N-acylpyrrolidine - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Piperidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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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