Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(NC(=O)COC1=CC(=C(NC2=NC3=CC=CC=C3S2)C=C1)[N+]([O-])=O)C(=O)OCC

InChIKey

InChIKey=CNPJFSQRJCHZEU-UHFFFAOYSA-N

Formula

C22H22N4O8S

Mass

502.5

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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 - Nitrophenyl ether - 1,3-benzothiazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Secondary amine - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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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