Compound Identification
SMILES
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=WXSMEXSLHGMAOK-DTXIJPRKSA-N
Formula
C19H18FN7O5S2
Mass
507.52
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 Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Amino acids Azetidines Secondary carboxylic acid amides Sulfenyl compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Primary amines Organic oxides 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 - Pyrimidine - Vinylogous thioester - 1,3-thiazol-2-amine - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Amino acid or derivatives - Amino acid - Carboxamide group - Thioenolether - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - 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