Compound Identification
SMILES
CC1=C(O)C=CC2=C1OC(=O)C(CCC(=O)N[C@@H](CC1=CC=C(Cl)C=C1)C(O)=O)=C2C
InChIKey
InChIKey=KWHODSGTNWCDHR-SFHVURJKSA-N
Formula
C23H22ClNO6
Mass
443.88
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
-
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
N-acyl-L-alpha-amino acids 7-hydroxycoumarins Phenylpropanoic acids 1-benzopyrans Amphetamines and derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 7-hydroxycoumarin - Hydroxycoumarin - Coumarin - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactone - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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