Structure Information
Structure

Compound Identification

SMILES

NC1=NC(\C(=N/O)C(=O)N[C@@H]2[C@H]3SCC(SC4=C(CO)C(=O)C5=C(S4)C=CS5)=C(N3C2=O)C(O)=O)=C(Cl)S1

InChIKey

InChIKey=OGCGOUVZYWXSQC-RQGZVYOISA-N

Formula

C20H14ClN5O7S5

Mass

632.11

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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 Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes Thioenol ethers Amino acids Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Primary amines Aromatic alcohols Hydrocarbon derivatives Organochlorides Organic oxides

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 - Aryl chloride - 1,3-thiazol-2-amine - Vinylogous thioester - Aryl halide - Ketoxime - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Thiophene - Thiazole - Thioenolether - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Aromatic alcohol - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - 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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