Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CC(=O)NC1=CC(Cl)=CC=C1)NCCN1CCOCC1

InChIKey

InChIKey=JBIXTTYEQVXTPI-UHFFFAOYSA-N

Formula

C16H22ClN3O4

Mass

355.82

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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 - Alpha-amino acid - Anilide - N-arylamide - Halobenzene - Chlorobenzene - Morpholine - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid - Tertiary amine - Carboxamide group - Oxacycle - Carboxylic acid - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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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