Structure Information
Structure

Compound Identification

SMILES

CCCCCC1=CC=C(CCC2=CC=C(S2)C(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)C=C1

InChIKey

InChIKey=NEKOMKKNGNKSHT-OAQYLSRUSA-O

Formula

C27H36F3N2O4S

Mass

541.65

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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 - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid anhydride - Quaternary ammonium salt - Thiophene - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Heteroaromatic compound - Tetraalkylammonium salt - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organic cation - 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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