Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(OC)=C1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@H](COOCOC(=O)CCCC(O)=O)N2C1=O

InChIKey

InChIKey=DAPXQPHHUZYUNP-VQPPSCEASA-N

Formula

C23H30N2O10S

Mass

526.56

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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 or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Phenol ether - Anisole - Benzoyl - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Dialkyl peroxide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Hemithioaminal - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Azacycle - Ether - Thioether - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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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