Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)NCCO[N+]([O-])=O

InChIKey

InChIKey=QDISPXYRFHKSCA-LBPRGKRZSA-N

Formula

C14H17N3O6S

Mass

355.37

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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 homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Alkyl nitrate - Acetamide - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Organic nitro compound - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic salt - Aromatic homomonocyclic 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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