Compound Identification
SMILES
CC(C)[C@H](NC(=O)C1=CC=NN2C(=NN=C12)C1=CC=C(NC(=O)NC2=CC=CC=C2C(F)(F)F)C=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=OFQQFNBNGSKMKB-QFIPXVFZSA-N
Formula
C29H30F3N7O4
Mass
597.599
Taxonomic Classification
Taxonomy Tree
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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 Triazolopyridazines Fatty acid esters Pyridazines and derivatives 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 - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - N-phenylurea - Trifluoromethylbenzene - Triazolopyridazine - Fatty acid ester - Fatty acyl - Benzenoid - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Vinylogous amide - 1,2,4-triazole - Triazole - 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