Compound Identification
SMILES
N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O.N[C@H](CC(=O)C1=CC=CC=C1N)C(O)=O
InChIKey
InChIKey=XYRUPVABMLEEPR-RMTNWKGQSA-N
Formula
C20H24N4O6
Mass
416.434
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones L-alpha-amino acids D-alpha-amino acids Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Beta-amino ketones Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Benzoyl - Aniline or substituted anilines - Gamma-keto acid - Aryl alkyl ketone - Monocyclic benzene moiety - Beta-aminoketone - Keto acid - Benzenoid - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available