Structure Information
Structure

Compound Identification

SMILES

N[C@@H](C(=O)N[C@H]1[C@H]2SCC(CSC3=NNN=C3)=C(N2C1=O)C([O-])=O)C1=CC=C(O)C=C1

InChIKey

InChIKey=UOCJDOLVGGIYIQ-PBFPGSCMSA-M

Formula

C18H17N6O5S2

Mass

461.49

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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 Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Aralkylamines 1,3-thiazines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines Organic anions

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Aralkylamine - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - 1,2,3-triazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - 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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