Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC(CC(=O)NC1CCN(CC1)C(=O)C=CC1=C(Cl)C(Cl)=C2SC=CC2=C1)C(O)=O

InChIKey

InChIKey=DKCZCGOPNOVEKX-UHFFFAOYSA-N

Formula

C22H23Cl2N3O5S

Mass

512.4

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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 heteropolycyclic compounds

Substituents

Asparagine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Benzothiophene - 1-benzothiophene - N-acyl-piperidine - Styrene - Aryl chloride - Aryl halide - Fatty amide - N-acyl-amine - Piperidine - Benzenoid - Fatty acyl - Acetamide - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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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