Structure Information
Structure

Compound Identification

SMILES

NCCSCC1=C(SC2=C(N3[C@H](SC2)[C@H](NC(=O)C(\N=O)=C2\NC(N)=CC=C2)C3=O)C(O)=O)SN=N1

InChIKey

InChIKey=XSDFMSGIHMGRDN-UWOMVZDOSA-N

Formula

C19H20N8O5S4

Mass

568.66

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

N-acyl-alpha amino acids and derivatives Alpha amino acid amides Aryl thioethers Dihydropyridines Vinylogous thioesters 1,3-thiazines Vinylogous amides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Amino acids Azetidines Secondary carboxylic acid amides Ketene acetals Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Dialkylthioethers Carboxylic acids C-nitroso compounds Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Aryl thioether - Dihydropyridine - Meta-thiazine - Vinylogous thioester - Hydropyridine - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Azole - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Azetidine - Thioenolether - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Organic nitroso compound - Azacycle - C-nitroso compound - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Primary aliphatic amine - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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