Structure Information
Structure

Compound Identification

SMILES

O.CC1=NC2=CN(NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCC2=CC(O)=C(O)C=C2C(O)=O)\C2=CSC(N)=N2)C3=O)C(O)=O)=C1)C(O)=O

InChIKey

InChIKey=RTIMEPOGQAJTNU-FMSBSVRKSA-N

Formula

C28H27N9O12S3

Mass

777.76

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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 - Dihydroxybenzoic acid - Alpha-amino acid or derivatives - Hydroxybenzoic acid - Triazolopyrimidine - Benzoic acid - Benzoic acid or derivatives - Catechol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Phenol - Meta-thiazine - 1,2-dihydropyrimidine - Hydropyrimidine - 1,3-thiazol-2-amine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Triazole - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Organic triazane - Ketene acetal or derivatives - Ketimine - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Imine - 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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