Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VQRGCTDZBWEOQC-IYWIJXFJSA-M

Formula

C13H14ClN6NaO5S2

Mass

456.85

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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 Alkylarylthioethers 1,3-thiazines Chloroacetamides Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid salts Tertiary amines Azetidines Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Sulfenyl compounds Organic metal halides Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Alkyl chlorides Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Tetrazole - Tertiary carboxylic acid amide - Chloroacetamide - Heteroaromatic compound - Azole - Azetidine - Amino acid or derivatives - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Organic metal halide - Azacycle - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carbonyl group - Organic salt - Organic nitrogen compound - Organic sodium salt - Amine - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - 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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