Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@H](CC(=O)NC1=CC(Cl)=CC=C1)NCCCN1CCOCC1

InChIKey

InChIKey=HIYRJCVSSJVQLM-OAHLLOKOSA-N

Formula

C17H24ClN3O4

Mass

369.85

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