Compound Identification
SMILES
COC(=O)C(N)CC1=C(Br)C(Br)=C(C(=O)C2=CC=CC=C2)C(Br)=C1Br
InChIKey
InChIKey=WCTHHTAPPPZOML-UHFFFAOYSA-N
Formula
C17H13Br4NO3
Mass
598.911
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
-
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
Benzophenones Alpha amino acid esters Aryl-phenylketones Diphenylmethanes Amphetamines and derivatives Benzoyl derivatives Fatty acid esters Aralkylamines Bromobenzenes Aryl bromides Methyl esters Vinylogous halides Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Benzophenone - Alpha-amino acid ester - Aryl-phenylketone - Diphenylmethane - Amphetamine or derivatives - Benzoyl - Aryl ketone - Aralkylamine - Bromobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Vinylogous halide - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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