Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC1=CC(=O)N2C=C(Br)C=CC2=N1

InChIKey

InChIKey=KVVYUJNRZSUNHY-UHFFFAOYSA-N

Formula

C20H20BrN3O6S

Mass

510.36

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Pyridopyrimidine - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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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