Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(COC(=O)C2=C(C[N+]3=CN=C(N)C=C3)CS[C@@H]3[C@H](NC(=O)C(=N/O[C@H](C(O)=O)C4=CC(O)=C(O)C=C4)\C4=CSC(N)=N4)C(=O)N23)C=C1

InChIKey

InChIKey=NBKJIUNNNWLEQM-JUFIIOIISA-O

Formula

C33H31N8O10S2

Mass

763.78

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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