Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC=C(S1)C(=O)NCCNC1=NC=CC=N1)NS(=O)(=O)C1=CC=CC=C1

InChIKey

InChIKey=WBHVOGKAAUOLJS-UHFFFAOYSA-N

Formula

C25H30N6O6S2

Mass

574.67

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Benzenesulfonamide - Benzenesulfonyl group - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-heteroaryl carboxamide - 2,5-disubstituted thiophene - Aminopyrimidine - Pyrimidine - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiophene - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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