Compound Identification
SMILES
CC(C)(C(CCC1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)C#N)C(O)=O
InChIKey
InChIKey=MUWQLVLLWTYRSE-UHFFFAOYSA-N
Formula
C21H22N2O3
Mass
350.418
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
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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
Beta amino acids and derivatives
Alternative Parents
Benzamides Medium-chain fatty acids Benzoyl derivatives Benzonitriles Methyl-branched fatty acids Amino fatty acids Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzonitrile - Benzoyl - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Methyl-branched fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available