Compound Identification
SMILES
CC1=C(CC(=O)NC(CC2=CC=C(Cl)C=C2)C(O)=O)C(=O)OC2=C1C=C1C(OC=C1C1=CC=C(Cl)C=C1)=C2
InChIKey
InChIKey=CADCBCBUNYHZSG-UHFFFAOYSA-N
Formula
C29H21Cl2NO6
Mass
550.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
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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
Phenylbenzofurans Psoralens N-acyl-alpha amino acids Phenylpropanoic acids 1-benzopyrans Amphetamines and derivatives Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furans Lactones Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Phenylbenzofuran - Furanocoumarin - Linear furanocoumarin - Psoralen - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Coumarin - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Chlorobenzene - Halobenzene - Pyranone - Benzenoid - Aryl chloride - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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