Structure Information
Structure

Compound Identification

SMILES

CC1S\C(=N\NC2=C3C=C(C=CC3=NC2=O)[N+]([O-])=O)N(C1=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=IEQCCUAYLPZHBU-RELWKKBWSA-N

Formula

C18H12BrN5O4S

Mass

474.29

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Indole or derivatives - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Organic nitro compound - C-nitro compound - N-acylimine - Azacycle - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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