Structure Information
Structure

Compound Identification

SMILES

[Na+].CO\N=C(\C([O-])=N[C@H]1[C@H]2CCC(C3=CSC(=N3)C3=CC=CO3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=JHQUTBWLBIJVNK-GCMNOBNSSA-M

Formula

C21H17N6NaO6S2

Mass

536.51

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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 - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - 1,3-thiazol-2-amine - Azole - Beta-lactam - Furan - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Amino acid - Azetidine - Carboxamide group - Lactam - Oxacycle - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Amine - 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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