Structure Information
Structure

Compound Identification

SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)C(C#N)=C(C)N

InChIKey

InChIKey=HQDFMHIOAYIUAM-UHFFFAOYSA-N

Formula

C22H30N4O6S

Mass

478.56

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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 - Alpha-amino acid ester - Valine or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoyl - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Organosulfonic acid amide - Alpha-branched alpha,beta-unsaturated-ketone - Sulfonyl - Acryloyl-group - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Enone - Aminosulfonyl compound - Alpha,beta-unsaturated ketone - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Enamine - Organonitrogen compound - Amine - Cyanide - Primary amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Primary aliphatic amine - 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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