Structure Information
Structure

Compound Identification

SMILES

NC(=O)C[C@H](NC(=O)C1=CC=CC=C1NC(=O)CCl)C(O)=O

InChIKey

InChIKey=DANMGGDOMPMIDT-VIFPVBQESA-N

Formula

C13H14ClN3O5

Mass

327.72

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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 homomonocyclic compounds

Substituents

Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acylaminobenzoic acid or derivatives - Hippuric acid - Hippuric acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Chloroacetamide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Alkyl halide - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic 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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