Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CCNC(=O)C1=NOC2=C1CN(CC2)C(=O)NC1=C(OC)C=CC(OC)=C1

InChIKey

InChIKey=JNFIXUOHXCPRFX-UHFFFAOYSA-N

Formula

C21H26N4O7

Mass

446.46

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - P-dimethoxybenzene - Dimethoxybenzene - N-phenylurea - Methoxyaniline - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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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