Structure Information
Structure

Compound Identification

SMILES

[Cl-].COC1=CC=C(COC(=O)C2=C(CS[C@@H]3[C@H](NC(=O)CSCCN=C(N)N)C(=O)N23)SC2=CC=CC=C2CSC(N)=[NH2+])C=C1

InChIKey

InChIKey=RMANHLYYZORYKY-DYNCTKRQSA-N

Formula

C28H34ClN7O5S4

Mass

712.31

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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 Benzyloxycarbonyls Anisoles Aryl thioethers Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters 1,3-thiazines Tertiary carboxylic acid amides Enoate esters Thioenol ethers Secondary carboxylic acid amides Azetidines Guanidines Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboximidamides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Organic oxides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organic chloride salts

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Alkyl aryl ether - Benzenoid - Meta-thiazine - Vinylogous thioester - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Enoate ester - Azetidine - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Thioenolether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic 1,3-dipolar compound - Carboximidamide - Hemithioaminal - Thioether - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic zwitterion - Organic oxide - Organic salt - Organic oxygen compound - Carbonyl group - Organic chloride salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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