Structure Information
Structure

Compound Identification

SMILES

N[C@@H](CO)CSCC1=C(SC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N\O)\C2=C(Cl)SC(N)=N2)C3=O)C(O)=O)C=CN=C1

InChIKey

InChIKey=PBNUTBMPVFSCOB-SQJFSKCJSA-N

Formula

C21H22ClN7O6S4

Mass

632.14

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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 2,4,5-trisubstituted thiazoles Aryl thioethers Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Aryl chlorides Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes 1,2-aminoalcohols Amino acids Secondary carboxylic acid amides Azetidines Thioenol ethers Dialkylthioethers Carboxylic acids Azacyclic compounds Sulfenyl compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carbonyl compounds Organochlorides Primary alcohols Hydrocarbon derivatives Organic oxides Monoalkylamines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Aryl halide - 1,3-thiazol-2-amine - Vinylogous thioester - Aryl chloride - Ketoxime - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Thioenolether - 1,2-aminoalcohol - Azetidine - Amino acid or derivatives - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Primary amine - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Primary alcohol - Primary aliphatic amine - Organosulfur compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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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