Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)NC1=CC(F)=C(F)C=C1)C(=O)NC1=NN=C(S1)C1=CC=C(C)C=C1

InChIKey

InChIKey=FQHBIOMBAXKCMY-UHFFFAOYSA-N

Formula

C21H21F2N5O2S

Mass

445.49

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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-carbamoyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-carbamoyl-alpha-amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - N-phenylurea - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Thiadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Urea - Carbonic acid derivative - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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