Structure Information
Structure

Compound Identification

SMILES

CNC(=S)C1(CCCCC1OC(=O)[C@H](CC(O)=O)NS(=O)(=O)C1=CC=CC=C1)C1=CN2C=CN=C2C=C1

InChIKey

InChIKey=MHJGBWKBGQVIMX-IXCHTMLJSA-N

Formula

C25H28N4O6S2

Mass

544.64

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aspartic acid or derivatives - Alpha-amino acid ester - Benzenesulfonamide - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Pyridine - Organosulfonic acid amide - Benzenoid - Fatty acyl - Heteroaromatic compound - Thioamide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Azole - Imidazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Carboxylic acid - Thiocarbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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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