Compound Identification
SMILES
CN1C=C(C(=O)N(C)C1=O)C1=CC=C(C[C@H](NC(=O)C2=C(C)C=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=ROGXIXKDUDBNDB-SFHVURJKSA-N
Formula
C23H22ClN3O5
Mass
455.9
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
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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 Phenylpyrimidines Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives o-Toluamides Benzoyl derivatives Pyrimidones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous halides Vinylogous amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Ureas Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - 5-phenylpyrimidine - 3-phenylpropanoic-acid - Amphetamine or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - O-toluamide - Toluamide - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Pyrimidone - Halobenzene - Toluene - Pyrimidine - Aryl chloride - Aryl halide - Hydropyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Carboxamide group - Urea - Secondary carboxylic acid amide - Lactam - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organochloride - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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