Compound Identification
SMILES
CCCN(C(C(=O)NCC(=O)OCC)C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F)C(C)=O
InChIKey
InChIKey=DSEMYOGFGHISNO-UHFFFAOYSA-N
Formula
C18H23F3N2O6S
Mass
452.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
-
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 Benzenesulfonyl compounds Tertiary carboxylic acid amides Sulfones Acetamides Trihalomethanes Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Trihalomethane - Monocarboxylic acid or derivatives - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Halomethane - Hydrocarbon derivative - Aromatic homomonocyclic 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