Structure Information
Structure

Compound Identification

SMILES

Cl.ClC1=CC=CC=C1CN1CCN(CCC(=O)NC2CC(=O)C3=C(Br)SC(Br)=C23)CC1

InChIKey

InChIKey=DHUOCOXKEXGXPG-UHFFFAOYSA-N

Formula

C21H23Br2Cl2N3O2S

Mass

612.2

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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 - Benzylamine - Phenylmethylamine - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Piperazine - Benzenoid - Aryl bromide - Aryl chloride - Heteroaromatic compound - Thiophene - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - 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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