Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)[C@H]1C[C@@H](N2NC(=CC2=N1)C(=O)NC1=C(C#N)C2=C(CCC2)S1)C(F)(F)F

InChIKey

InChIKey=HNMXXHUDVHSQKT-VQIMIIECSA-N

Formula

C23H20F3N5O2S

Mass

487.5

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Pyrimidinecarboxamide - Pyrazolopyrimidine - Phenoxy compound - N-arylamide - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Imidolactam - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Pyrimidine - Thiophene - Pyrazole - Pyrazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Ether - Nitrile - Carbonitrile - Azacycle - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Cyanide - Organic nitrogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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