Structure Information
Structure

Compound Identification

SMILES

CNC(=O)NC1=N[N+]2=C(C=C1)N(CC1=C(N3[C@H](SC1)[C@H](NC(=O)C(\N=O)=C1/NSC(N)=N1)C3=O)C([O-])=O)C=C2

InChIKey

InChIKey=KBCSFQPYHBRQTG-SJKOYZFVSA-N

Formula

C20H19N11O6S2

Mass

573.56

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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 1,3-thiazines Pyridazines and derivatives N-substituted imidazoles Imidolactams Vinylogous amides Thiadiazolines Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds C-nitroso compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Organic salts Amines Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic zwitterions

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Meta-thiazine - Pyridazine - N-substituted imidazole - Imidolactam - Thiadiazoline - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic nitroso compound - C-nitroso compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hemithioaminal - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic salt - 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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