Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(O)=O)[N+]1=CC=CC=C1)C1=CSC(N)=N1
InChIKey
InChIKey=GNQMMXVEMVIRAQ-RDSKLVBISA-O
Formula
C19H19N6O5S
Mass
443.46
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
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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 Tetrahydropyridines 2,4-disubstituted thiazoles Pyridinium derivatives 2-amino-1,3-thiazoles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Primary amines Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbacephem - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Vinylogous amide - Secondary carboxylic acid amide - Azetidine - Amino acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic cation - 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