Structure Information
Structure

Compound Identification

SMILES

O[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=C(N1)C=C(Br)S2)C(=O)N1C[C@H](O)[C@H](O)C1

InChIKey

InChIKey=DMVBKESPTMGFQB-HWLIBYHHSA-N

Formula

C21H22BrN3O5S

Mass

508.39

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