Compound Identification
SMILES
[Na+].NC1=NC(=CS1)C(=N/OCCF)\C(=O)N[C@H]1[C@H]2CCC(SC3=NC4=C(S3)C=NC=C4)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=VEBBHZIVAFUYRI-WZBWZCRNSA-M
Formula
C21H17FN7NaO5S3
Mass
585.58
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 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 salts Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Sulfenyl compounds Organic metal halides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides 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 - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Pyridine - 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