Structure Information
Structure

Compound Identification

SMILES

NC(N)=NCCC[C@H](NC(=O)C1=CC(O)=C(Br)C(OCCC2=C(Cl)C=C(Cl)C=C2)=C1)C(N)=O

InChIKey

InChIKey=KHQQGEXBJQNYNQ-HNNXBMFYSA-N

Formula

C21H24BrCl2N5O4

Mass

561.26

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - 2-halophenol - Phenoxy compound - Benzoyl - 2-bromophenol - 1,3-dichlorobenzene - Phenol ether - Halobenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aryl bromide - Fatty acyl - Aryl chloride - Aryl halide - Fatty amide - Secondary carboxylic acid amide - Guanidine - Primary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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