Structure Information
Structure

Compound Identification

SMILES

NCCSCC1=C(SC2=C(N3C(SC2)[C@H](NC(=O)C(\N=O)=C2/NSC(N)=N2)C3=O)C(O)=O)C=CN=C1

InChIKey

InChIKey=DVAYQAVFXLAPQK-RDRDCINZSA-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 Vinylogous thioesters 1,3-thiazines Pyridines and derivatives Vinylogous amides Thiadiazolines Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Carboximidamides C-nitroso compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives

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 - Meta-thiazine - Pyridine - Vinylogous thioester - Thiadiazoline - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Thioenolether - Organic nitroso compound - C-nitroso compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - 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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