Structure Information
Structure

Compound Identification

SMILES

CN1C=NN=C1SCC(=O)N(CCC(N)=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=MOKJUXDWUVZIQS-UHFFFAOYSA-N

Formula

C14H16FN5O2S

Mass

337.37

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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 - Anilide - Aryl thioether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,2,4-triazole - Primary carboxylic acid amide - Carboxamide group - Thioether - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur 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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