Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C=C(NC(=S)C2SC(=S)N(C2=O)C2=CC=CC(=C2)C(F)(F)F)C=C1

InChIKey

InChIKey=NPRZPFHQQHKIFR-UHFFFAOYSA-N

Formula

C18H11F3N2O4S3

Mass

472.47

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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 - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Vinylogous acid - Thioamide - Thiazolidine - Amino acid - Tertiary amine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Thiocarboxylic acid amide - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - 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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