Compound Identification
SMILES
Cl.CN(CC(O)=O)C(C1CCC2=C(C1)C=CC(=C2)C#N)C1=CC=CC=C1
InChIKey
InChIKey=NGKANKBWEREGKU-UHFFFAOYSA-N
Formula
C21H23ClN2O2
Mass
370.88
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
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 8
N-acyl-alpha amino acids
- Level 9 N-benzylalanines
-
Level 8
N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-benzylalanines
Alternative Parents
Tetralins Alpha amino acids Aralkylamines Benzene and substituted derivatives Trialkylamines Amino acids Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-benzylalanine - Alpha-amino acid - Tetralin - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxygen compound - Cyanide - Amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.
External Descriptors
Not available