Compound Identification
SMILES
COC(=O)C(CC1=CC=CC(=C1)C#N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C
InChIKey
InChIKey=XMQZYHVWGOYDME-UHFFFAOYSA-N
Formula
C26H34N2O4S
Mass
470.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Alpha amino acid esters Amphetamines and derivatives Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Cumenes Benzonitriles Fatty acid esters Organosulfonamides Methyl esters Aminosulfonyl compounds Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Benzenesulfonamide - Cumene - Phenylpropane - Benzenesulfonyl group - Benzonitrile - Fatty acid ester - Fatty acyl - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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