Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC(=O)N1CCC2(C1)CCN(CC2)C(=O)C=CC1=CSC=C1)NC(=O)C1=CC=CC=C1

InChIKey

InChIKey=LOAXWCLZHCTAFK-UHFFFAOYSA-N

Formula

C27H31N3O5S

Mass

509.62

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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 - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Azaspirodecane - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Benzoyl - N-acylpyrrolidine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Piperidine - Heteroaromatic compound - Methyl ester - Thiophene - Pyrrolidine - Tertiary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen 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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