Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CNCC1=CC=CC=N1)C(NCC1=CC=CC=N1)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=OETVKEJWBPHPDH-UHFFFAOYSA-N

Formula

C23H23N5O2

Mass

401.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - 3-phenylpropanoic-acid - 2-pyridylmethylamine - Benzonitrile - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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