Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DAJHFDRCNBQKDV-VIFPVBQESA-N

Formula

C13H13ClN2O6

Mass

328.71

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

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

Description

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