Compound Identification
SMILES
[Na+].NC1=NC(=CS1)C(=N/OCCF)\C(=O)N[C@H]1[C@H]2CCC(SC3=C4C=CC=CC4=NS3)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=KMAOAGZWOKEMDC-QRCGJONMSA-M
Formula
C22H18FN6NaO5S3
Mass
584.59
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
- Level 5 Carbacephems
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Subclass
Beta lactams
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Class
Lactams
-
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 2,4-disubstituted thiazoles Tetrahydropyridines Vinylogous thioesters 2-amino-1,3-thiazoles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Thioenol ethers Azetidines Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Organic metal halides Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Organic oxides Primary amines Carbonyl compounds Organofluorides Organic zwitterions Organic sodium salts Hydrocarbon derivatives
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 - 1,3-thiazol-2-amine - Vinylogous thioester - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Sulfenyl compound - Organic alkali metal salt - Azacycle - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Amine - Organic zwitterion - Organic sodium salt - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - 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