Compound Identification
SMILES
CC(C)CCN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(N)=O)S(=O)(=O)C1=CC=CC=C1
InChIKey
InChIKey=XTPNKEJBQRSFAI-RJGXRXQPSA-N
Formula
C25H36N4O5S
Mass
504.65
Taxonomic Classification
Taxonomy Tree
-
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Asparagine 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
Asparagine and derivatives
Alternative Parents
Alpha amino acid amides Phenylbutylamines Benzenesulfonamides Amphetamines and derivatives Benzenesulfonyl compounds Organosulfonamides N-acyl amines Aminosulfonyl compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Asparagine or derivatives - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Fatty amide - N-acyl-amine - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Organonitrogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available