Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CN(CCOC1=C(OCC2CCCO2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1)CC(C)(C)O

InChIKey

InChIKey=VXOTWGOFBLDNLN-UHFFFAOYSA-N

Formula

C29H36ClFN4O6

Mass

591.08

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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 - Quinazolinamine - Diazanaphthalene - Quinazoline - Aniline or substituted anilines - Phenol ether - Fluorobenzene - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Imidolactam - Benzenoid - Aryl fluoride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Oxolane - Tertiary alcohol - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - 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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