Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C1=CC=[N+](CC2=C(N3C(SC2)[C@H](NC(=O)CN)C3=O)C([O-])=O)C=C1

InChIKey

InChIKey=CBMUIWFEIJLIOO-HKUCRGJHSA-N

Formula

C27H27FN6O7S

Mass

598.61

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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 Alpha amino acid amides Phenylpyridines Fluorobenzenes Aryl fluorides 1,3-thiazines Oxazolidinones Pyridinium derivatives Acetamides Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Oxacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions Organofluorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 4-phenylpyridine - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - Meta-thiazine - Monocyclic benzene moiety - Oxazolidinone - Aryl fluoride - Benzenoid - Aryl halide - Pyridine - Pyridinium - Heteroaromatic compound - Oxazolidine - Acetamide - Carbamic acid ester - Tertiary carboxylic acid amide - Azetidine - Amino acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Dialkylthioether - Azacycle - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - 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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