Compound Identification
SMILES
NC1=NC(=CS1)C(=N/OCCF)\C(=O)N[C@H]1[C@H]2CCC(SC3=NC(=CS3)C(=O)OCC3=CC=CC=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=QMKBTJSZWBRNHU-TYEADUERSA-N
Formula
C26H23FN6O7S3
Mass
646.68
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 Benzyloxycarbonyls Thiazolecarboxylic acids and derivatives Aryl thioethers Tetrahydropyridines 2,4-disubstituted thiazoles Vinylogous thioesters 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Thioenolether - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Primary amine - Alkyl halide - Organofluoride - Organic oxygen compound - Amine - Hydrocarbon derivative - Organohalogen 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