Compound Identification
SMILES
COC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N12)[C@H]1CC=NO1
InChIKey
InChIKey=PXQOCRYNCFUIFA-DDUZABMNSA-N
Formula
C19H19N3O6S
Mass
417.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers 1,3-thiazines Tertiary carboxylic acid amides Enoate esters Methyl esters Isoxazolines Secondary carboxylic acid amides Oxime ethers Azetidines Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Isoxazoline - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Oxime ether - Secondary carboxylic acid amide - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Ether - Oxacycle - Carboxylic acid derivative - Hemithioaminal - Thioether - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available