Structure Information
Structure

Compound Identification

SMILES

ONC(=O)[C@@H](CC(=O)N1CCOCC1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=KBNQMUUZBXFIBP-GOSISDBHSA-N

Formula

C20H22ClN3O6S

Mass

467.92

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Asparagine or derivatives - Chlorinated biphenyl - Biphenyl - Benzenesulfonamide - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Carboxamide group - Hydroxamic acid - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

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