Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)C2=C(CS[C@@H]3[C@H](NC(=O)C(=N/OC(C)(C)C(=O)OC(C)(C)C)\C4=CSC(N)=N4)C(=O)N23)\C=C\C2CC[N+](C)(C)O2)C=C1

InChIKey

InChIKey=PJOSKWUDZPYIKG-YLNSQRBOSA-O

Formula

C35H45N6O9S2

Mass

757.9

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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 Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2,4-disubstituted thiazoles Dicarboxylic acids and derivatives 1,3-thiazines 2-amino-1,3-thiazoles Isoxazolidines Heteroaromatic compounds Enoate esters Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Oxacyclic compounds N-organohydroxylamines Thiohemiaminal derivatives Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azole - Alpha,beta-unsaturated carboxylic ester - Isoxazolidine - Enoate ester - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Secondary carboxylic acid amide - Azetidine - Carboxylic acid ester - Carboxamide group - Hemithioaminal - Thioether - Azacycle - Ether - Oxacycle - Carboxylic acid derivative - N-organohydroxylamine - Dialkylthioether - Amine - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic cation - 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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