Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CC1CCCO1)C(=O)C1=NC=CN=C1

InChIKey

InChIKey=YFAGTQJYXUSGLA-UHFFFAOYSA-N

Formula

C21H30N4O5

Mass

418.494

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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 - N-acyl-piperidine - Piperidinecarboxylic acid - Pyrazinecarboxamide - Pyrazine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Piperidine - Pyrazine - Heteroaromatic compound - Oxolane - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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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