Compound Identification
SMILES
[Na+].NC1=NC(=CS1)C(=N/OCCF)\C(=O)N[C@H]1[C@H]2CCC(SC3=NC=CC=N3)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=MSNBSUSVNNRCIO-OTZGNDGVSA-M
Formula
C19H17FN7NaO5S2
Mass
529.5
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 Carbacephems
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Subclass
Beta lactams
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Class
Lactams
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Not available
Direct Parent
Carbacephems
Alternative Parents
N-acyl-alpha amino acids and derivatives Aryl thioethers Tetrahydropyridines 2,4-disubstituted thiazoles Vinylogous thioesters Pyrimidines and pyrimidine derivatives 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Carbonyl compounds Organic sodium salts Primary amines Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Pyrimidine - Vinylogous thioester - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Thioenolether - Amino acid - Tertiary amine - Organic alkali metal salt - Azacycle - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Alkyl halide - Amine - Organic zwitterion - Organic oxygen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic sodium salt - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbacephems. These are a new class of beta-lactam antibiotics similar in structure to the cephalosporins. They differ from cephalosporins, however, in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring.
External Descriptors
Not available