Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)[C@@H](CC(O)=O)NC(=O)NC1=C(N=C(C)N(CC2=CC=CC=C2)C1=O)C1=CC=CC=N1

InChIKey

InChIKey=HYOOJVGONPJVJS-HSZRJFAPSA-N

Formula

C28H27N5O4

Mass

497.555

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-phenylpropanoic-acid - Pyrimidone - Toluene - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Urea - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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