Compound Identification
SMILES
OC(=O)C[C@H](COC1=CC=CC(=C1)C#N)NCC1=CC=CC=C1
InChIKey
InChIKey=DDUWCUUXMGZPLR-MRXNPFEDSA-N
Formula
C18H18N2O3
Mass
310.353
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
Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Benzonitriles Aralkylamines Alkyl aryl ethers Amino acids Nitriles Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Benzonitrile - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Ether - Carboxylic acid - Secondary aliphatic amine - Nitrile - Carbonitrile - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - 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