Structure Information
Structure

Compound Identification

SMILES

CCC(F)(F)C1=CC(Cl)=C(C=C1)S(=O)(=O)N1CCN2C=CC=C2[C@@H]1CC(=O)N1CCC2=CC=CC=C2C1

InChIKey

InChIKey=OSFCAMLAYJOYIM-DEOSSOPVSA-N

Formula

C27H28ClF2N3O3S

Mass

548.05

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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 - Benzenesulfonamide - Tetrahydroisoquinoline - Benzenesulfonyl group - Phenylpropane - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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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