Compound Identification
SMILES
[Na+].CC1=C(C(=S)N[C@@H](CC2=CC=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=C2)C([O-])=O)C(Cl)=CC=C1
InChIKey
InChIKey=JIRJBIAWGOPPPH-FYZYNONXSA-M
Formula
C24H18Cl3N2NaO3S
Mass
543.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Benzanilides Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Benzamides Benzoyl derivatives Dichlorobenzenes Toluenes Aryl chlorides Vinylogous halides Thioamides Secondary carboxylic acid amides Carboxylic acid salts Thiocarboxylic acid amides Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Thiocarbonyl compounds Organic oxides Carbonyl compounds Organic sodium salts Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Benzanilide - Aromatic anilide - 3-phenylpropanoic-acid - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Toluene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Thioamide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Thiocarbonyl group - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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