Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC(CSN=NC1=CC=CC(=C1)C(O)=O)C(O)=O

InChIKey

InChIKey=XRHKHOFYJWFEFG-UHFFFAOYSA-N

Formula

C12H13N3O5S

Mass

311.31

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha-amino acid - Cysteine or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboxylic acid - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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