Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC(NC(=O)CC1=C(Cl)C=C(Cl)C=C1)C1=CC(NS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=BFVAUPYGZPJUSC-UHFFFAOYSA-N

Formula

C25H23Cl2N3O7S

Mass

580.43

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Sulfanilide - Phenylacetamide - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - 1,3-dichlorobenzene - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Organosulfonic acid amide - Fatty acyl - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organohalogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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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