Structure Information
Structure

Compound Identification

SMILES

COC(=O)C=C(C)NC1=CC=CC=C1CC(=O)NC1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)OCCl

InChIKey

InChIKey=LJHQWFXRJZKVJR-AQCCAAQSSA-N

Formula

C22H26ClN3O6S

Mass

495.98

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Penams

Direct Parent

Penicillins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aniline or substituted anilines - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Thiazolidine - Enoate ester - Methyl ester - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary amine - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Enamine - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organohalogen compound - Carbonyl group - Organic oxide - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].

External Descriptors

Not available

Previous Back Next