Structure Information
Structure

Compound Identification

SMILES

[Br-].CC(=O)N(N1C(=O)N(C(=O)C2=C1C=C(Cl)C=C2)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=C[N+](CC(=O)OC(C)(C)C)=CC=C1

InChIKey

InChIKey=ZYHWRLQQJDREPZ-UHFFFAOYSA-M

Formula

C27H25BrCl2N4O7S

Mass

700.38

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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 - Alpha amino acids and derivatives

Direct Parent

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Benzenesulfonamide - Quinazoline - Benzenesulfonyl group - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrimidine - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Acetamide - Vinylogous amide - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic bromide salt - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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