Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(OC)=C1C(=O)NC1C2SC(C)(C)[C@@H](N2C1=O)C(=O)OCOC(=O)C1=CN(C)C=CC1

InChIKey

InChIKey=ILWVLMROERMQCR-LVIWNVNYSA-N

Formula

C25H29N3O8S

Mass

531.58

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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 - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Dihydropyridinecarboxylic acid derivative - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Acylal - Dihydropyridine - Dicarboxylic acid or derivatives - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazolidine - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Azetidine - Hemithioaminal - Ether - Enamine - Thioether - Dialkylthioether - Carboxylic acid derivative - Acetal - Azacycle - Allylamine - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - 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

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