Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(NC[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N12)OS(=O)(=O)C(F)(F)F

InChIKey

InChIKey=PTVCLVRGKCDEJP-KOLCDFICSA-N

Formula

C16H14F3N3O7S

Mass

449.36

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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

N-acyl-alpha amino acid or derivatives - Phenylacetamide - Trifluoromethanesulfonate - Monocyclic benzene moiety - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Beta-lactam - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Tertiary carboxylic acid amide - Sulfonyl - Azetidine - Carboxamide group - Lactam - Trihalomethane - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic oxide - Organonitrogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - 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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