Compound Identification
SMILES
[Cl-].NC(=O)C[N+]12CC[N+](CC3=CC4=C(SC(SC5=C(N6[C@H](CC5)[C@H](NC(=O)C(=N/OCF)\C5=CSC(N)=N5)C6=O)C([O-])=O)=N4)C=C3)(CC1)CC2
InChIKey
InChIKey=PEBGNTCEXFIBNA-QUDWRECBSA-N
Formula
C30H33ClFN9O6S3
Mass
766.28
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides N-piperazineacetamides Benzothiazoles Aryl thioethers N-alkylpiperazines Tetrahydropyridines Aralkylamines 2,4-disubstituted thiazoles Vinylogous thioesters 2-amino-1,3-thiazoles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Tetraalkylammonium salts Amino acids Carboxylic acid salts Thioenol ethers Azetidines Primary carboxylic acid amides Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organic chloride salts Organic oxides Organic zwitterions Alkyl fluorides Hydrocarbon derivatives Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - 1,3-benzothiazole - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - N-alkylpiperazine - Aralkylamine - Piperazine - Benzenoid - 1,3-thiazol-2-amine - Vinylogous thioester - 1,4-diazinane - Azole - Heteroaromatic compound - Tetraalkylammonium salt - Thiazole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Primary carboxylic acid amide - Thioenolether - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organofluoride - Organic chloride salt - Primary amine - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic zwitterion - 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