Structure Information
Structure

Compound Identification

SMILES

[Na+].[H][C@]12SCC(CSC(=O)C3=CC=CO3)=C(N1C(=O)[C@@]2([H])N=C([O-])C(=N/OC)\C1=CSC(=N)N1)C(O)=O

InChIKey

InChIKey=RFLHUYUQCKHUKS-JUODUXDSSA-M

Formula

C19H16N5NaO7S3

Mass

545.53

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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 - Cephem - Furoic acid or derivatives - Meta-thiazine - Azole - Beta-lactam - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azetidine - Carboxamide group - Isothiourea - Lactam - Thiocarboxylic acid ester - Carbothioic s-ester - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic alkali metal salt - Thiocarboxylic acid or derivatives - Thioether - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - 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

CHEBI:31383 : organic molecular entity

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