Structure Information
Structure

Compound Identification

SMILES

COCCN(CCC(=O)NC1=NN=C(S1)C1=CC(Br)=CC=C1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=DSMJVIDPRYFWIH-UHFFFAOYSA-N

Formula

C21H20BrN5O5S

Mass

534.39

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - N-arylamide - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiadiazole - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Organic oxoazanium - Dialkyl ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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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