Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CCC(C(=O)CBr)=C(N2C1=O)C(=O)OCC=C
InChIKey
InChIKey=RMGUOUHTXRWHRB-AAEUAGOBSA-N
Formula
C18H23BrN2O6
Mass
443.294
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
-
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
Alpha amino acids and derivatives Tetrahydropyridines Vinylogous amides Tertiary carboxylic acid amides Enoate esters Carbamate esters Alpha-haloketones Tertiary amines Azetidines Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Carbacephem - Alpha-amino acid or derivatives - Tetrahydropyridine - Alpha-haloketone - Tertiary carboxylic acid amide - Carbamic acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Azetidine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl bromide - Amine - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic 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