Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NC(=O)NC1CCCCC1)C(=O)NC1=NN=C(S1)C1=CC=C(F)C=C1

InChIKey

InChIKey=FXFUGVANIWEFKR-UHFFFAOYSA-N

Formula

C21H28FN5O2S

Mass

433.55

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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-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-arylamide - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - Azole - Thiadiazole - Heteroaromatic compound - Urea - Carbonic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organofluoride - 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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