Compound Identification
SMILES
NC1=NC(\C(=N/O)C(=O)N[C@H]2[C@H]3CCC(SC4=NC(=CS4)C4=CC=NC=C4)=C(N3C2=O)C(O)=O)=C(Cl)S1
InChIKey
InChIKey=IHKXRGULQQWINB-XAFWMDSLSA-N
Formula
C21H16ClN7O5S3
Mass
578.03
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 2,4,5-trisubstituted thiazoles Aryl thioethers Tetrahydropyridines 2,4-disubstituted thiazoles Vinylogous thioesters 2-amino-1,3-thiazoles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes Thioenol ethers Tertiary amines Amino acids Secondary carboxylic acid amides Azetidines Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Pyridine - Aryl halide - Vinylogous thioester - 1,3-thiazol-2-amine - Aryl chloride - Azole - Ketoxime - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Azetidine - Tertiary amine - Thioenolether - Amino acid or derivatives - Carboxamide group - Amino acid - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organochloride - 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