Compound Identification
SMILES
CC(O)C1C2C(C)C(SC3=NC(=CS3)C3=CCN(C=N)C3CO)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=PNESHTCYJGHRAQ-UHFFFAOYSA-N
Formula
C19H22N4O5S2
Mass
450.53
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 Aryl thioethers Pyrroline carboxylic acids 2,4-disubstituted thiazoles Azepines Vinylogous thioesters Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Secondary alcohols Azetidines Formamidines Carboxylic acids Carboximidamides Carboxamidines Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives Imines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Aryl thioether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Azepine - Vinylogous thioester - Azole - Heteroaromatic compound - Pyrroline - Tertiary carboxylic acid amide - Thiazole - Secondary alcohol - Carboxamide group - Azetidine - Thioenolether - Monocarboxylic acid or derivatives - Carboxylic acid - Amidine - Carboxylic acid derivative - Formamidine - Carboxylic acid amidine - Carboximidamide - Sulfenyl compound - Azacycle - Organic nitrogen compound - Imine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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