Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CO[C@]1(NC(=O)C(C([O-])=O)C2=CC=C(O)C=C2)C2OCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=GRIXGZQULWMCLU-PJDRSYKOSA-L

Formula

C20H18N6Na2O9S

Mass

564.44

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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 heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Phenylacetamide - Oxacephem - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Azole - Beta-lactam - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Carboxylic acid salt - Lactam - Organoheterocyclic compound - Oxacycle - Organic alkali metal salt - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Organic sodium salt - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic salt - Organic zwitterion - Aromatic heteropolycyclic 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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