Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O

InChIKey

InChIKey=KFHPUVSFMWLXJA-MRXNPFEDSA-N

Formula

C21H18F3N3O5S

Mass

481.45

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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 - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Trifluoromethylbenzene - 3-alkylindole - Nitrobenzene - Indole or derivatives - Indole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Alkyl halide - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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