Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C2NC(=C)C(=O)NC2=C1C(=O)NCC(O)=O)[N+]([O-])=O

InChIKey

InChIKey=ITBAKPCOYWZIQN-UHFFFAOYSA-N

Formula

C13H12N4O6

Mass

320.261

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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

N-acyl-alpha-amino acid - Alpha-amino acid amide - Diaminotoluene - Nitroaromatic compound - Benzenoid - Vinylogous amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Amine - Organic oxide - 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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