Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CC1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)CC1CCC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChIKey

InChIKey=XFISMXUGCSTDIK-DINWUYGQSA-N

Formula

C33H38F3N3O3S

Mass

613.74

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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 - Trifluoromethylbenzene - Tetrahydroquinoline - Tetralin - Benzenesulfonyl group - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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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