Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=NC(NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=NOCC2=CC(O)=C(O)C=C2)C2=CSC(N)=N2)C3=O)C(O)=O)=C1)=C1C=CC(=O)C(O)=C1

InChIKey

InChIKey=OBMFXGRBSOWBGO-FUFSCUOVSA-N

Formula

C32H27N9O9S3

Mass

777.8

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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 - Triazolopyrimidine - Catechol - P-quinomethane - Quinomethane - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Meta-thiazine - Hydropyrimidine - 1,2-dihydropyrimidine - Heteroaromatic compound - Azole - Triazoline - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Cyclic ketone - Carboxamide group - Amino acid - Ketene acetal or derivatives - Ketone - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Enol - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Primary amine - Organic oxygen 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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