Structure Information
Structure

Compound Identification

SMILES

NC(=O)C[C@@H](N1C(=S)S\C(=C\C2=CC=C(C=O)C=C2)C1=O)C(O)=O

InChIKey

InChIKey=PRIIECHEPRKNJP-QZULDAKNSA-N

Formula

C15H12N2O5S2

Mass

364.39

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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 heteromonocyclic compounds

Substituents

Asparagine or derivatives - Benzaldehyde - Benzoyl - Aryl-aldehyde - Monocyclic benzene moiety - Fatty amide - Thiazolidinethione - Fatty acyl - Benzenoid - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxamide group - Amino acid - Primary carboxylic acid amide - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aldehyde - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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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