Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(NC2=NC=NC3=C2C=C(OC(=O)C2OC2CN2CCCCC2)C=C3)=C1

InChIKey

InChIKey=XSFOTWOSOINNNH-UHFFFAOYSA-N

Formula

C23H23BrN4O3

Mass

483.366

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Sugar amino acids and derivatives

Direct Parent

Epoxide amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epoxide amino acid - Quinazolinamine - Phenol ester - Quinazoline - Aniline or substituted anilines - Halobenzene - Aminopyrimidine - Bromobenzene - Aryl bromide - Oxirane carboxylic acid - Oxirane carboxylic acid or derivatives - Piperidine - Pyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organobromide - Amine - Organic nitrogen compound - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epoxide amino acids and derivatives. These are sugar amino acids containing an oxirane ring between the carboxy- and the amino terminals of the amino acid chain.

External Descriptors

Not available

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