Compound Identification
SMILES
COC(=O)[C@H](C)NC(=O)C1=C(NCCC2=CC(F)=CC=C2)N=C(C=C1)C1=CC=CC=C1C#N
InChIKey
InChIKey=MTFQTIHMCHPFBD-INIZCTEOSA-N
Formula
C25H23FN4O3
Mass
446.482
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 Phenylpyridines Alanine and derivatives Nicotinamides Benzonitriles Secondary alkylarylamines Aminopyridines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Vinylogous amides Methyl esters Secondary carboxylic acid amides Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 2-phenylpyridine - Alanine or derivatives - Nicotinamide - Pyridine carboxylic acid or derivatives - Benzonitrile - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic 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