Compound Identification
SMILES
COC(=O)[C@H](CC1=CC=CC(=C1)C#N)NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C
InChIKey
InChIKey=GDVQIONEJUYQFH-FIKGOQFSSA-N
Formula
C21H26N2O5S
Mass
418.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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 Bicyclic monoterpenoids Aromatic monoterpenoids Amphetamines and derivatives Benzonitriles Fatty acid esters Organosulfonamides Organic sulfonamides Methyl esters Aminosulfonyl compounds Ketones Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Aromatic monoterpenoid - Norbornane monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Bornane monoterpenoid - Benzonitrile - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Methyl ester - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic homopolycyclic 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