Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(CN2CCCN(CC3=CC=C(Br)S3)CC2)O1

InChIKey

InChIKey=AARDSOPHUQFQAC-UHFFFAOYSA-N

Formula

C17H21BrN2O3S

Mass

413.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Sugar amino acids and derivatives

Direct Parent

Furanoid amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Furanoid amino acid - Furoic acid ester - Furoic acid or derivatives - 1,4-diazepane - Diazepane - Aralkylamine - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Methyl ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as furanoid amino acids and derivatives. These are sugar amino acids containing a furan ring.

External Descriptors

Not available

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