Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.CC(C)(O\N=C(/C(=O)NC1C2SCC(CSC3=NC(N)=CC(N)=[N+]3C3=CC=CC=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1)C(O)=O

InChIKey

InChIKey=HBCOCCZMSTTWJG-AHDJAPAFSA-N

Formula

C29H28F3N9O9S3

Mass

799.77

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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

Not available

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Imidolactam - Benzenoid - Pyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Carboxylic acid salt - Sulfenyl compound - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Primary amine - 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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