Compound Identification
SMILES
[Na+].C[C@@](O)(C(=O)NC1=C(Cl)C=C(C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C([O-])=O)C(F)(F)F
InChIKey
InChIKey=MNOMVFVDYIQHPH-WRRDZZDISA-M
Formula
C20H17ClF3N2NaO5
Mass
480.8
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
Hippuric acids N-acyl-alpha amino acids Acylaminobenzoic acid and derivatives Phenylpropanoic acids 3-halobenzoic acids and derivatives Amphetamines and derivatives Anilides N-arylamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Tertiary alcohols Carboxylic acid salts Fluorohydrins Secondary carboxylic acid amides Organic metal halides Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Alkyl fluorides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acylaminobenzoic acid or derivatives - Hippuric acid - Hippuric acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Tertiary alcohol - Carboxamide group - Carboxylic acid salt - Fluorohydrin - Halohydrin - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Organochloride - Alkyl halide - Organic salt - Organic zwitterion - Alkyl fluoride - Alcohol - Carbonyl group - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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