Compound Identification
SMILES
COC(=O)C1(N=C2C=CC(Br)=CN2C(=N1)C1=CC=C(C)C=C1)C(F)(F)F
InChIKey
InChIKey=WMPXXMMZAPRUOR-UHFFFAOYSA-N
Formula
C17H13BrF3N3O2
Mass
428.209
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Toluenes Dihydropyridines 1,3,5-triazines Imidolactams Methyl esters Vinyl bromides Azacyclic compounds Bromoalkenes Carboxamidines Carboximidamides Propargyl-type 1,3-dipolar organic compounds Enamines Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organofluorides Alkyl fluorides Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Dihydropyridine - Toluene - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,3,5-triazine - Methyl ester - Carboxylic acid ester - Azacycle - Bromoalkene - Carboxylic acid amidine - Haloalkene - Enamine - Monocarboxylic acid or derivatives - Vinyl bromide - Vinyl halide - Carboximidamide - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Alkyl halide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available