Structure Information
Structure

Compound Identification

SMILES

OC1CN(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=C(N1)C=C(Br)S2

InChIKey

InChIKey=DLQZEXINISHYQK-HNNXBMFYSA-N

Formula

C19H18BrN3O3S

Mass

448.34

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - 2,3,5-trisubstituted thiophene - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Thiophene - Pyrrole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Azetidine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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