Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CO[C@]1(NC(=O)C(C([O-])=O)C2=CC=C(O)C=C2)C2SCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=WQNIVUZLCINORO-PJDRSYKOSA-L

Formula

C20H18N6Na2O8S2

Mass

580.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems - Cephalosporins

Direct Parent

Cephamycins

Alternative Parents

N-acyl-alpha amino acids and derivatives Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-dicarbonyl compounds 1,3-thiazines Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Carboxylic acids Sulfenyl compounds Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as cephamycins. These are compounds containing a the cephalosporin (oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) nucleus, with an alkyloxy group attached to the C6 carbon atom.

External Descriptors

Not available

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