Structure Information
Structure

Compound Identification

SMILES

O=C(CNC(=O)C1=CC=CC=C1)N(CCC1=CC=CS1)CC1=CC=CC(=C1)C1=CC(=CC=C1)C(=O)NCCN1CCCC1

InChIKey

InChIKey=IIMPCJMBBYRQKY-UHFFFAOYSA-N

Formula

C35H38N4O3S

Mass

594.77

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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 heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Biphenyl - Alpha-amino acid or derivatives - Benzoyl - N-alkylpyrrolidine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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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