Structure Information
Structure

Compound Identification

SMILES

NC(=O)CCNC(=O)C1=C(S)C=CC(Br)=C1

InChIKey

InChIKey=QJNKBDIOJCWGCX-UHFFFAOYSA-N

Formula

C10H11BrN2O2S

Mass

303.17

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Thiophenol - Benzoyl - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Arylthiol - Organooxygen compound - Organic oxide - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic homomonocyclic 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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