Compound Identification
SMILES
[Na+].CCOC(=O)C1=CSC(SC2=C(N3[C@H](CC2)[C@H](NC(=O)C(=N\OCCF)\C2=CSC(N)=N2)C3=O)C([O-])=O)=N1
InChIKey
InChIKey=WONLAJDQZMCVPW-YYYTWDFGSA-M
Formula
C21H20FN6NaO7S3
Mass
606.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Thiazolecarboxylic acids and derivatives Aryl thioethers 2,4-disubstituted thiazoles Tetrahydropyridines Vinylogous thioesters 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Amino acids Azetidines Carboxylic acid esters Carboxylic acid salts Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organic metal halides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Primary amines Organic oxides Organic sodium salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - 1,3-thiazol-2-amine - Vinylogous thioester - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Carboxylic acid salt - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic metal halide - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic zwitterion - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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