Structure Information
Structure

Compound Identification

SMILES

CC(C)N1CC2=C(N=C(N=C2NC(C)(C)CC2=CC=C(F)C=C2)C2CNCC3N2COC3=O)C1=O

InChIKey

InChIKey=IIUIGXSGACLQOS-UHFFFAOYSA-N

Formula

C25H31FN6O3

Mass

482.56

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Amphetamine or derivatives - Phenylpropane - 2-heteroaryl carboxamide - Aminopyrimidine - Secondary aliphatic/aromatic amine - Halobenzene - N-alkylpiperazine - Aralkylamine - Fluorobenzene - Imidolactam - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Oxazolidinone - Aryl halide - Aryl fluoride - Pyrimidine - Piperazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Oxazolidine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary amine - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organohalogen compound - Hydrocarbon derivative - 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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