Compound Identification
SMILES
NC1=NC(=CS1)C(=N/OCCF)\C(=O)N[C@H]1[C@H]2CCC(SC3=NC=CN=C3N)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=HTFJFBCZNKADJX-LFTSQMOKSA-N
Formula
C19H19FN8O5S2
Mass
522.53
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 Aminopyrazines Vinylogous thioesters 2-amino-1,3-thiazoles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Amino acids Secondary carboxylic acid amides Azetidines Carboxylic acids Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Alkyl fluorides Primary amines Hydrocarbon derivatives Organofluorides Organic oxides
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 - Aminopyrazine - Tetrahydropyridine - Pyrazine - Imidolactam - Vinylogous thioester - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Thioenolether - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Primary amine - Amine - Alkyl fluoride - Alkyl halide - Organic oxygen compound - 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