Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2CN(CCC2=C1)C(=O)C1(CCNCC1)NC(=O)CSC1=C(Cl)C=C(C=N1)C(F)(F)F

InChIKey

InChIKey=KTCYUJDHUQTEMA-UHFFFAOYSA-N

Formula

C25H28ClF3N4O4S

Mass

573.03

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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 - Tetrahydroisoquinoline - Piperidinecarboxamide - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Azacycle - Organosulfur compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - 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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