Compound Identification
SMILES
CC1=NC(SC2=C(N3C(CC3=O)C2)C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)=NC=C1
InChIKey
InChIKey=RKKMCYQGQSNPBK-UHFFFAOYSA-N
Formula
C19H16N4O5S
Mass
412.42
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
Alpha amino acids and derivatives Benzyloxycarbonyls Nitrobenzenes Pyrroline carboxylic acids Aryl thioethers Nitroaromatic compounds Azepines Vinylogous thioesters Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Thioenol ethers Azetidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrroline carboxylic acid or derivatives - Pyrroline carboxylic acid - Azepine - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Vinylogous thioester - Pyrroline - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thioenolether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxide - Carbonyl group - 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