Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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