Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(NC(=O)C2=C(Br)C3=NC(CC(N3N2)C(F)(F)F)C2=CC=CS2)C=C1

InChIKey

InChIKey=FBIOUPBHCTZWAH-UHFFFAOYSA-N

Formula

C20H18BrF3N4O3S

Mass

531.35

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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

Dimethoxybenzene - O-dimethoxybenzene - Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Anilide - Methoxyaniline - Methoxybenzene - Phenoxy compound - N-arylamide - Phenol ether - Anisole - Alkyl aryl ether - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Hydropyrimidine - Pyrimidine - Monocyclic benzene moiety - Pyrazoline - Vinylogous halide - Pyrazole - Heteroaromatic compound - Thiophene - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Haloalkene - Vinyl bromide - Vinyl halide - Amidine - Ether - Azacycle - Bromoalkene - Alkyl halide - Organohalogen compound - Organobromide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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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