Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@H]1[C@H]2CCC(C3=CSC(=N3)C3=CC=C(C=C3)[N+]([O-])=O)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=ZYNONMKFFLYOGI-CVEARBPZSA-N
Formula
C22H22N4O7S
Mass
486.5
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 Nitrobenzenes Nitroaromatic compounds Tetrahydropyridines 2,4-disubstituted thiazoles Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Azetidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carbamic acid ester - Azetidine - Carboxamide group - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - 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