Compound Identification
SMILES
COC(=O)C(CC1=CC=C(F)C=C1)NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=MSSWQMXDNNBMOO-UHFFFAOYSA-N
Formula
C17H15F4NO4S
Mass
405.36
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
Alpha amino acid esters Trifluoromethylbenzenes Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Fatty acid esters Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Methyl esters Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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