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)\C=C\C(O)=O)C3=O)C(O)=O)C=C1
InChIKey
InChIKey=JLRDHNFLNXZDDM-PEXAYZNPSA-O
Formula
C29H27FN5O9S
Mass
640.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
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 Phenylpyridines Fluorobenzenes 1,3-thiazines Pyridinium derivatives Oxazolidinones Aryl fluorides Dicarboxylic acids and derivatives N-acyl amines Tertiary carboxylic acid amides Acetamides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Organic oxides Carbonyl compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - 4-phenylpyridine - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - Meta-thiazine - Aryl fluoride - Aryl halide - N-acyl-amine - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Heteroaromatic compound - Acetamide - Oxazolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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