Compound Identification
SMILES
COC(=O)C1=C(C=CC=C1F)C1=CC(F)=C(C=C1)[C@H](C)NC(=O)C1(CC1)NC(=O)C1=CN=CN=C1
InChIKey
InChIKey=NEGCNAVCAOJDMM-AWEZNQCLSA-N
Formula
C25H22F2N4O4
Mass
480.472
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
Biphenyls and derivatives 2-halobenzoic acids and derivatives Benzoic acid esters Pyrimidinecarboxylic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Cyclopropanecarboxylic acids and derivatives Vinylogous halides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Biphenyl - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Pyrimidine-5-carboxylic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Cyclopropanecarboxylic acid or derivatives - Pyrimidine - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Heteroaromatic compound - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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