Compound Identification
SMILES
[Na+].[O-]C(=O)[C@@H](CC1=CC=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=OKUUQDXHKOARLR-ZMBIFBSDSA-M
Formula
C22H17N2NaO4S
Mass
428.44
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 Phenylalanine and derivatives
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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
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Biphenylcarbonitriles Phenylpropanoic acids Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzonitriles Organosulfonamides Aminosulfonyl compounds Carboxylic acid salts Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Biphenylcarbonitrile - Biphenyl - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzonitrile - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic sodium salt - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available