Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C2=C(C=C1)C(=CC=C2)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChIKey

InChIKey=AFEMNOBCNGDBOB-NSHDSACASA-N

Formula

C16H14BrNO6

Mass

396.193

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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 homopolycyclic compounds

Substituents

Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - 1-naphthalenecarboxylic acid or derivatives - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic 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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