Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NC(C)(C1=CN=CN1C)C1=CC(F)=C(C=C1)C#N

InChIKey

InChIKey=KELWBJOTLXANIG-UHFFFAOYSA-N

Formula

C23H24FN5O4S

Mass

485.53

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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