Structure Information
Structure

Compound Identification

SMILES

COC1=NC2=C(\C=C\[C@@H]3CC[C@@H](NC\C=C\C4=C(F)C=CC(F)=C4)[C@@H](CC(=O)NCCO)O3)C=CN=C2C=C1

InChIKey

InChIKey=TXALGLMMOCTFRM-MCLDETKNSA-N

Formula

C29H32F2N4O4

Mass

538.596

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Sugar amino acids and derivatives

Direct Parent

Pyranoid amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyranoid amino acid - Gamma amino acid or derivatives - Naphthyridine - Styrene - N-acylethanolamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Oxane - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Alkanolamine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organofluoride - Carbonyl group - Organohalogen compound - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.

External Descriptors

Not available

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