Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](NS(=O)(=O)C1=CC=C(S1)C1=NOC(=N1)C1=CC=C(F)C=C1)C(O)=O

InChIKey

InChIKey=MQLVXVPOFUWECL-CQSZACIVSA-N

Formula

C17H16FN3O5S2

Mass

425.45

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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

Valine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - Phenyl-1,2,4-oxadiazole - Fluorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine 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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