Compound Identification
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)C[C@H](NC(=O)C(F)(F)F)C(=O)OC
InChIKey
InChIKey=MNSYVNRERDYUHP-ZDUSSCGKSA-N
Formula
C18H17F3N2O6
Mass
414.337
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
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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 Indolecarboxylic acids and derivatives Butyrophenones Indoles Gamma-keto acids and derivatives Aryl alkyl ketones Pyrrole carboxylic acids and derivatives Fatty acid esters Substituted pyrroles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Indolecarboxylic acid derivative - Butyrophenone - Indole - Indole or derivatives - Gamma-keto acid - Pyrrole-2-carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Benzenoid - Substituted pyrrole - Fatty acyl - Keto acid - Methyl ester - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alkyl halide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - 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