Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3N=C(C4=CC=CC=C4)C4=C(C=CC(C[N+]5=CN(CCO)C=C5)=C4)S3(=O)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=DBXRLXBJGJIPHL-BJUWQELWSA-N
Formula
C30H31N5O7S
Mass
605.67
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 Pyrroline carboxylic acids Azepines N-substituted imidazoles Benzene and substituted derivatives Tertiary carboxylic acid amides Organosulfonic acids and derivatives Heteroaromatic compounds Secondary alcohols Azetidines Carboxylic acid salts Alkanolamines Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbapenem - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrroline - Carboxylic acid salt - Azetidine - Carboxamide group - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Alkanolamine - Azacycle - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Organic zwitterion - Organic salt - 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