Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC(F)=C(C=C1)N1CCCC(C1)NC1=NC=CC=N1)NS(=O)(=O)C1=CC=CC=C1

InChIKey

InChIKey=CDFIZTSDRXBDDO-UHFFFAOYSA-N

Formula

C29H35FN6O5S

Mass

598.69

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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 - Phenylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fluorobenzene - Halobenzene - Aminopyrimidine - 3-aminopiperidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organosulfonic acid amide - Piperidine - Pyrimidine - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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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