Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=NN=C(SCC2=C(N3C(SC2)C(N=C([O-])CCCC(N)C(O)=O)C3=O)C(O)=O)S1

InChIKey

InChIKey=SITXAEHFNXVSIW-UHFFFAOYSA-M

Formula

C17H20N5NaO6S3

Mass

509.55

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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 - Alpha-amino acid - Cephem - Aryl thioether - Medium-chain fatty acid - Alkylarylthioether - Meta-thiazine - Fatty acyl - Dicarboxylic acid or derivatives - Thiadiazole - Azole - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Amino acid - Azetidine - Azacycle - Carboximidic acid - Carboximidic acid derivative - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Hemithioaminal - Sulfenyl compound - Organic salt - Hydrocarbon derivative - Organic sodium salt - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic oxygen compound - Amine - Organic zwitterion - Organic oxide - 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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