Compound Identification
SMILES
OC(=O)C(F)(F)F.NC1=NC(=NS1)C(=NOCC=C)C(=O)NC1[C@@H]2SCC(CS\C=C\C3=CC=CC=N3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=JNPWLDWNKOJKBP-CGVWKWBHSA-N
Formula
C24H22F3N7O7S3
Mass
673.66
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 1,3-thiazines Pyridines and derivatives Alpha-halocarboxylic acids Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Amino acids Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Primary amines
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Pyridine - Alpha-halocarboxylic acid - Tertiary carboxylic acid amide - Thiadiazole - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Amino acid or derivatives - Thioenolether - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Amine - Organic nitrogen compound - Primary amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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