Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2[C@H]3CCC\C(=C/C4=CC5=CC=CC=C5S4)C3=C(N2C1=O)C(O)=O
InChIKey
InChIKey=XCAUMCNVARGVNI-JSHGFRCUSA-N
Formula
C22H21NO4S
Mass
395.47
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 1-benzothiophenes Isoindoles 2,3,5-trisubstituted thiophenes Pyrroline carboxylic acids Azepines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary alcohols Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Isoindole - 1-benzothiophene - Benzothiophene - Isoindole or derivatives - 2,3,5-trisubstituted thiophene - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Pyrroline - Carboxamide group - Azetidine - Secondary alcohol - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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