Compound Identification
SMILES
CCOC(=O)[C@@H](NC(=O)C1=CC=CN2C(=NN=C12)C1=CC=C(NC(=O)NC2=CC=CC=C2C(F)(F)F)C=C1)C(C)C
InChIKey
InChIKey=CPWTVJNDSDOZQR-QFIPXVFZSA-N
Formula
C28H27F3N6O4
Mass
568.557
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
Valine and derivatives Alpha amino acid esters Phenyl-1,2,4-triazoles Trifluoromethylbenzenes N-phenylureas Triazolopyridines Pyridinecarboxylic acids and derivatives Fatty acid esters Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - N-phenylurea - Triazolopyridine - Pyridine carboxylic acid or derivatives - Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Pyridine - Fatty acyl - Vinylogous amide - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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