Structure Information
Structure

Compound Identification

SMILES

CC1=CN(CC2=CC(NC(=O)C3CNCCN3C(=O)OC3CCCCC3)=CC=C2)C=N1

InChIKey

InChIKey=OYHCOGKAQXGAIF-UHFFFAOYSA-N

Formula

C23H31N5O3

Mass

425.533

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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 - Alpha-amino acid or derivatives - Piperazine-2-carboxamide - Piperazine-1-carboxylic acid - Anilide - Imidazolyl carboxylic acid derivative - N-arylamide - N-substituted imidazole - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Imidazole - Carbamic acid ester - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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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