Structure Information
Structure

Compound Identification

SMILES

COCCCN(CC(=O)N1CCC2=C(C=CS2)C1C1=CC=C(OC)C=C1)C(=O)C1=CC(OC)=CC=C1

InChIKey

InChIKey=NATAEBKCRXCLOE-UHFFFAOYSA-N

Formula

C28H32N2O5S

Mass

508.63

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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 heteropolycyclic compounds

Substituents

Hippuric acid or derivatives - Alpha-amino acid or derivatives - Thienopyridine - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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