Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=NC=C(C=C1)C(NC1=CC(F)=CC=C1)C(=O)O[C@H]1C[N+]2(CC(=O)C3=CC=CC=C3)CCC1CC2

InChIKey

InChIKey=BCVJZULKKVHUBR-NLSYHISUSA-M

Formula

C29H31ClFN3O4

Mass

540.03

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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 - Alkyl-phenylketone - Phenylketone - Quinuclidine - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Benzoyl - Phenylalkylamine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Pyridine - Piperidine - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Alpha-aminoketone - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid ester - Ketone - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic chloride salt - Organic salt - Amine - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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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