Compound Identification
SMILES
CC1=CC(SCC2=C(N3[C@H](SC2)C(NC(=O)CSC2=C(Cl)C=CC(=C2)C(F)(F)F)C3=O)C(O)=O)=CC(C)=[N+]1CCC[C@H](N)C(O)=O
InChIKey
InChIKey=GPRHSVPYTHWYCV-CCLKQRNJSA-O
Formula
C29H31ClF3N4O6S3
Mass
720.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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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 Trifluoromethylbenzenes L-alpha-amino acids Thiophenol ethers Chlorobenzenes Alkylarylthioethers Methylpyridines Dicarboxylic acids and derivatives Pyridinium derivatives 1,3-thiazines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Amino acids Carboxylic acids Sulfenyl compounds Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - L-alpha-amino acid - Alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Thiophenol ether - Aryl thioether - Alkylarylthioether - Chlorobenzene - Halobenzene - Methylpyridine - Pyridine - Aryl chloride - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyridinium - Meta-thiazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Organofluoride - Organochloride - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Primary aliphatic amine - Organonitrogen compound - 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