Structure Information
Structure

Compound Identification

SMILES

COC1=C(O[C@H]2C[C@@H](N(C)C2)C(=O)NCC2CCOCC2)C=C2C(NC3=C(F)C(Cl)=CC=C3)=NC=NC2=C1

InChIKey

InChIKey=WJFUVXXLEDHLAQ-HTAPYJJXSA-N

Formula

C27H31ClFN5O4

Mass

544.02

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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

Proline and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Proline or derivatives - Alpha-amino acid amide - Quinazolinamine - Quinazoline - Anisole - Aniline or substituted anilines - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxane - Pyrimidine - Imidolactam - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organochloride - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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