Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(O1)C=NN(CCC(=O)NC1CCCCC1)C1=NS(=O)(=O)C2=CC=CC=C12

InChIKey

InChIKey=QFYKIWBHZDUZRK-UHFFFAOYSA-N

Formula

C21H23BrN4O4S

Mass

507.4

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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 - 1,2-benzothiazole - Aryl bromide - Aryl halide - Imidolactam - Benzenoid - Heteroaromatic compound - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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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