Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)NCCCC1=CC=CC=C1

InChIKey

InChIKey=OPEFQMMTMAZQRD-NWPGHJEMSA-N

Formula

C22H33F6N3O5S

Mass

565.57

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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

Not available

Substituents

Isoleucine or derivatives - Alpha-amino acid amide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkylthiol - Organopnictogen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alkyl fluoride - Amine - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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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