Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=NC(NCCCC(NC(=O)C2=CC=CC=C2)C(=O)CC(CC2=CC=C(O)C=C2)C(O)=O)=N1

InChIKey

InChIKey=OETYNASKNNQAQX-UHFFFAOYSA-N

Formula

C28H32N4O5

Mass

504.587

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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 - Medium-chain keto acid - Benzamide - Benzoic acid or derivatives - Gamma-keto acid - Benzoyl - Amino fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Branched fatty acid - Phenol - Aminopyrimidine - Heterocyclic fatty acid - Hydroxy fatty acid - Keto acid - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Pyrimidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organic oxide - 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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