Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(S1)C(N1CCCC1C(O)=O)C1=CC=CC=C1Br

InChIKey

InChIKey=FDAUZAJLKNSGFB-UHFFFAOYSA-N

Formula

C17H18BrNO2S

Mass

380.3

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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 - Alpha amino acids and derivatives

Direct Parent

Proline and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Proline or derivatives - Alpha-amino acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aralkylamine - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Thiophene - Tertiary aliphatic amine - Tertiary amine - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organic nitrogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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