Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC1=NC(=NC(N)=N1)C1=CC=C(CC(C)(N)C(O)=O)C=C1)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=VTHDVXIFEQQBDD-FXBVVIMESA-N

Formula

C25H26N6O2

Mass

442.523

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Naphthalene - Phenylpropane - 2,4-diamine-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Aralkylamine - N-aliphatic s-triazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Primary amine - Amine - Organooxygen compound - Aromatic heteropolycyclic 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

Previous Back Next