Compound Identification
SMILES
CC(O)C1C2C(C)C(SC3=CC=CC=C3)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KNKUCZARQBAVDD-UHFFFAOYSA-N
Formula
C23H22N2O6S
Mass
454.5
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
Benzyloxycarbonyls Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Aryl thioethers Pyrroline carboxylic acids Azepines Vinylogous thioesters Tertiary carboxylic acid amides Enoate esters Thioenol ethers Azetidines Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Pyrroline carboxylic acid or derivatives - Pyrroline carboxylic acid - Aryl thioether - Nitroaromatic compound - Azepine - Vinylogous thioester - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrroline - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary alcohol - Thioenolether - Organic nitro compound - Azetidine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur 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