Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N[C@H]1CCSC1=O)[N+]([O-])=O

InChIKey

InChIKey=MNEWINCQCNCJLD-JTQLQIEISA-N

Formula

C13H12N2O6S

Mass

324.31

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Nitrobenzoate - Benzoate ester - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Thiolane - Methyl ester - Carbothioic s-lactone - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Thiolactone - Thiocarboxylic acid ester - C-nitro compound - Carboxylic acid ester - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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