Compound Identification
SMILES
CCOC(=O)C(NC(=O)CC1=CC=C(NC2=NC3=C(S2)C=C(C=C3)C(F)(F)F)C=C1)C(=O)OCC
InChIKey
InChIKey=FXVZWLOQLXNTIK-UHFFFAOYSA-N
Formula
C23H22F3N3O5S
Mass
509.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters Phenylacetamides Benzothiazoles Aniline and substituted anilines 1,3-dicarbonyl compounds 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Secondary amines Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Phenylacetamide - 1,3-benzothiazole - Aniline or substituted anilines - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - 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