Structure Information
Structure

Compound Identification

SMILES

COC(=O)CNC(=O)C1=NN2C(=N1)C(=O)NC1=C2C=CC(Cl)=C1

InChIKey

InChIKey=DDSXWSYMHKYLIG-UHFFFAOYSA-N

Formula

C13H10ClN5O4

Mass

335.7

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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

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Quinoxaline - Triazolopyrazine - 2-heteroaryl carboxamide - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Methyl ester - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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