Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N1CCCN(CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC1

InChIKey

InChIKey=HCMDFFYCXMXLAI-UHFFFAOYSA-N

Formula

C22H26F3N3O4S

Mass

485.52

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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 - Benzenesulfonamide - Trifluoromethylbenzene - Anilide - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Anisole - 1,4-diazepane - Diazepane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Alkyl fluoride - 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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