Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(COC(=O)NC2=CC=C(SC3=C(N4C(CC4=O)C3)C(=O)OCC3=CC=CC=C3)C=C2)C=C1

InChIKey

InChIKey=JPYVGCCGIBQCBT-UHFFFAOYSA-N

Formula

C28H23N3O7S

Mass

545.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Not available

Direct Parent

Carbapenems

Alternative Parents

Phenylcarbamic acid esters Alpha amino acids and derivatives Benzyloxycarbonyls Nitrobenzenes Pyrroline carboxylic acids Aryl thioethers Nitroaromatic compounds Azepines Vinylogous thioesters Tertiary carboxylic acid amides Carbamate esters Enoate esters Azetidines Thioenol ethers Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic salts Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic zwitterions

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylcarbamic acid ester - Carbapenem - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrroline carboxylic acid or derivatives - Pyrroline carboxylic acid - Azepine - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Carbamic acid ester - Pyrroline - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 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 - Organic zwitterion - Hydrocarbon derivative - 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

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