Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CN(CCC1=CC=C(C=C1)C1=NCCN1)C(=O)CCNCS(=O)(=O)C1=C(Cl)C=C(C=C1)C(F)(F)F

InChIKey

InChIKey=WOQLCBJXVUBSSR-UHFFFAOYSA-N

Formula

C25H27ClF6N4O5S

Mass

645.01

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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

Not available

Substituents

Beta amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonyl group - Halobenzene - Chlorobenzene - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl chloride - Alpha-halocarboxylic acid - Sulfone - 2-imidazoline - Tertiary carboxylic acid amide - Sulfonyl - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Amine - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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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