Structure Information
Structure

Compound Identification

SMILES

CN1N=C(C=C1C(F)(F)F)C1=CC=C(CN2CCCN(CC(=O)OCC3=CC=CC=C3)CC2)S1

InChIKey

InChIKey=IKQNYEXAHJSVCK-UHFFFAOYSA-N

Formula

C24H27F3N4O2S

Mass

492.56

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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 heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Benzyloxycarbonyl - 1,4-diazepane - Diazepane - 2,5-disubstituted thiophene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alkyl halide - Organooxygen compound - Aromatic heteromonocyclic 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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