Compound Identification
SMILES
CC(O)C1C2C(C)C(SC3=NC(=CS3)C3=CC(CC(=O)N4CCCCCC4)NCC3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=IYHBVESJBMUASY-UHFFFAOYSA-N
Formula
C26H34N4O5S2
Mass
546.7
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
Beta amino acids and derivatives Alpha amino acids and derivatives Pyrroline carboxylic acids Aryl thioethers 2,4-disubstituted thiazoles Azepanes Azepines Vinylogous thioesters Hydropyridines Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Secondary alcohols Amino acids Azetidines Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Azepane - Azepine - Vinylogous thioester - Hydropyridine - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrroline - Heteroaromatic compound - Azetidine - Thioenolether - Secondary alcohol - Carboxamide group - Amino acid - Amino acid or derivatives - Azacycle - Sulfenyl compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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