Structure Information
Structure

Compound Identification

SMILES

FC1=CC(C2=NN(C(=O)C3CCCNC3)C3(CCOC4=CC=CC=C34)S2)=C(F)C=C1

InChIKey

InChIKey=CNFBVMFVESQHCT-UHFFFAOYSA-N

Formula

C22H21F2N3O2S

Mass

429.49

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Chromane - Benzopyran - 1-benzopyran - 3-piperidinecarboxamide - Piperidinecarboxamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Thiadiazoline - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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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