Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](NC(=O)C1=NC2=CC=CC=C2N=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC(NC(C)=O)=C(F)C=C1

InChIKey

InChIKey=GSTXDHVBETUIQS-BDNWRBNRSA-N

Formula

C37H45FN6O6S

Mass

720.86

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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 heteropolycyclic compounds

Substituents

Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - O-haloacetanilide - Haloacetanilide - Diazanaphthalene - Quinoxaline - Benzenesulfonamide - Amphetamine or derivatives - Acetanilide - Pyrazine carboxylic acid or derivatives - N-acetylarylamine - Anilide - Benzenesulfonyl group - Pyrazinecarboxamide - 2-heteroaryl carboxamide - N-arylamide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Fatty acyl - Pyrazine - N-acyl-amine - Organosulfonic acid amide - Fatty amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Aminosulfonyl compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic 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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