Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C1=C(Cl)C=C(Cl)C(=C1)C(=O)OC

InChIKey

InChIKey=KLUBIJTZNXWLEW-HNNXBMFYSA-N

Formula

C18H17Cl2NO6S

Mass

446.3

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Benzenesulfonamide - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Organosulfonic acid amide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous halide - Methyl ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

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