Compound Identification
SMILES
[Na+].C[C@@H](O)[C@H]1[C@H]2CC(=C(N2C1=O)C([O-])=O)C1=CSC=C1COC(=O)NC1=CC=CC=C1
InChIKey
InChIKey=JRHCLKCSKHDZMQ-AQSPJADGSA-M
Formula
C21H19N2NaO6S
Mass
450.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
- Level 5 Carbapenems
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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
Carbapenems
Alternative Parents
Phenylcarbamic acid esters Alpha amino acids and derivatives Pyrroline carboxylic acids Azepines Thiophenes Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Secondary alcohols Azetidines Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organic oxides Organic sodium salts Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylcarbamic acid ester - Carbapenem - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrroline - Tertiary carboxylic acid amide - Thiophene - Carbamic acid ester - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organic sodium salt - Organic oxygen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.
External Descriptors
Not available