Structure Information
Structure

Compound Identification

SMILES

CC1(C)CN(CCOc2cc3cnc(Nc4ccc(F)c(Cl)c4)nc3cc2OC[C@@H]2CCCO2)CC(=O)O1

InChIKey

InChIKey=NUOMBMYTUBBHTO-IBGZPJMESA-N

Formula

C27H30ClFN4O5

Mass

545.01

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