Structure Information
Structure

Compound Identification

SMILES

CCOC1CCC(N1C(=O)C1=CC2=C(OCO2)C=C1[N+]([O-])=O)(C(=O)OCC)C(=O)OCC

InChIKey

InChIKey=KBZLGVHYKIMQJX-UHFFFAOYSA-N

Formula

C20H24N2O10

Mass

452.416

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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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha-amino acid - Benzodioxole - Nitroaromatic compound - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Acetal - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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