Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)N[C@@H](CC1=CC=C(Cl)C=C1)C(O)=O)N(CCCl)CCCl
InChIKey
InChIKey=JHRZCEMKIJKSDN-SFHVURJKSA-N
Formula
C21H23Cl3N2O3
Mass
457.78
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 Phenylpropanoic acids Aminobenzamides Amphetamines and derivatives p-Toluamides Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitrogen mustard compounds Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Alkyl chlorides Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Aminobenzamide - Aminobenzoic acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminotoluene - Benzoyl - Nitrogen mustard - Toluene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Alkyl halide - Organooxygen compound - Alkyl chloride - Carbonyl group - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - 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