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Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)NCCC(=O)N1CCCN1C(=O)CC1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=KTENUFOJHCPMSG-UHFFFAOYSA-N

Formula

C22H22N4O7

Mass

454.439

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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 - Benzamide - Benzodioxole - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Diacylhydrazine - Monocyclic benzene moiety - Benzenoid - Pyrazolidine - Carboxamide group - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Acetal - Azacycle - Organic oxoazanium - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - 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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