Structure Information
Structure

Compound Identification

SMILES

COC1=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=NFQCWSPMDUYCKY-SJKOYZFVSA-N

Formula

C19H17N9O6S2

Mass

531.52

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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 Alkyl aryl ethers N-substituted imidazoles 1,3-thiazines Pyridazines and derivatives Thiadiazolines Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Carboxylic acid salts Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Thiohemiaminal derivatives C-nitroso compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carboximidamides Carbonyl compounds Hydrocarbon derivatives Amines Organic oxides Organic salts 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 - Alkyl aryl ether - Meta-thiazine - Pyridazine - N-substituted imidazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Vinylogous amide - Thiadiazoline - Imidazole - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Organic nitroso compound - Azacycle - C-nitroso compound - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Thioether - Hemithioaminal - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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