Structure Information
Structure

Compound Identification

SMILES

[Br-].CCOC(=O)CCNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1

InChIKey

InChIKey=WSVBXGASCYKVRA-UHFFFAOYSA-N

Formula

C22H27BrN2O4S

Mass

495.43

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Thiophenol ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Benzenoid - Pyridinium - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic bromide salt - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic salt - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic 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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