Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(NC(=O)C(C)N(C2=CC(Cl)=C(OC)C=C2)S(C)(=O)=O)C=C1

InChIKey

InChIKey=BENMHLAJYAUZKZ-UHFFFAOYSA-N

Formula

C18H20Cl2N2O5S

Mass

447.33

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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

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alanine or derivatives - Sulfanilide - Anilide - Methoxyaniline - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - N-arylamide - Chlorobenzene - Halobenzene - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid amide - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

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