Compound Identification
SMILES
CC1=CC(C)=NC(SC2=C(N3C(CC3=O)C2)C(=O)OCC2=CC=CC=C2)=N1
InChIKey
InChIKey=NJRWNNZJQCKKQE-UHFFFAOYSA-N
Formula
C20H19N3O3S
Mass
381.45
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
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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
Carbapenems
Alternative Parents
Alpha amino acids and derivatives Benzyloxycarbonyls Aryl thioethers Pyrroline carboxylic acids Azepines Vinylogous thioesters Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Thioenol ethers Azetidines Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Aryl thioether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous thioester - Tertiary carboxylic acid amide - Pyrroline - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Enoate ester - Azetidine - Thioenolether - Carboxamide group - Carboxylic acid ester - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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