Compound Identification
SMILES
[Na+].[O-]C(=O)[C@H](CC1=CC=CC=C1)N1C(=S)N\C(=C\C2=CC=C(O2)C2=CC(Cl)=C(Cl)C=C2)C1=O
InChIKey
InChIKey=WEVHGQMOJKYGRS-HAPXCCTHSA-M
Formula
C23H15Cl2N2NaO4S
Mass
509.33
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
-
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
Phenylpropanoic acids Amphetamines and derivatives Dichlorobenzenes Aryl chlorides Imidazolidinones Furans Heteroaromatic compounds Thioureas Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic zwitterions Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Heteroaromatic compound - Furan - Imidazolidine - Carboxylic acid salt - Thiourea - Organic metal halide - Carboxylic acid - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic salt - Carbonyl group - Organic sodium salt - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic 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