Compound Identification
SMILES
CCOC(=O)C1=CSC(SC2=C(N3[C@H](CC2)[C@H](NC(=O)C(=N\OCCF)\C2=CSC(N)=N2)C3=O)C(O)=O)=N1
InChIKey
InChIKey=ZFSCEZBEDVWUHT-VYEPGNDUSA-N
Formula
C21H21FN6O7S3
Mass
584.61
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 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 Carbonyl compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Vinylogous thioester - 1,3-thiazol-2-amine - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Carboxylic acid ester - 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