Compound Identification
SMILES
COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)S(=O)(=O)C1=CC=CC(OC)=C1)NC(C)=O
InChIKey
InChIKey=LGPIODYMWCHBDM-UHFFFAOYSA-N
Formula
C22H31N3O7S
Mass
481.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
-
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 esters N-acyl-alpha amino acids and derivatives Azaspirodecane derivatives Benzenesulfonamides Benzenesulfonyl compounds Anisoles Phenoxy compounds N-acylpyrrolidines Methoxybenzenes Alkyl aryl ethers Fatty acid esters Piperidines Organosulfonamides Tertiary carboxylic acid amides Acetamides Sulfonyls Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Azaspirodecane - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Methoxybenzene - N-acylpyrrolidine - Phenol ether - Phenoxy compound - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Organosulfonic acid amide - Acetamide - Methyl ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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