Structure Information
Structure

Compound Identification

SMILES

COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1

InChIKey

InChIKey=QVLNHQZPFVQQAJ-CLJLJLNGSA-N

Formula

C28H30Cl2FN3O5S

Mass

610.52

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Chromane - Benzopyran - 1-benzopyran - Benzenesulfonyl group - 1,2-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Halobenzene - Fluorobenzene - Fatty amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Aryl chloride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Dialkyl ether - Oxacycle - Ether - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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