Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC(C)(COCCO)C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C(NC(=O)C2=CC=CC=C2)C(O)=O)=CC=C1

InChIKey

InChIKey=JYBJUEKFSYZQMM-UHFFFAOYSA-N

Formula

C32H40N2O9S

Mass

628.74

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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 - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Phenylpropane - Benzenesulfonyl group - Benzoyl - Phenol ether - Anisole - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Organosulfur compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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