Structure Information
Structure

Compound Identification

SMILES

CN1CC(C(=O)NCCOC(=O)C2N3C(SC2(C)C)C(NC(=O)CC2=CC=CC=C2)C3=O)=C2C=CC=CC2=C1

InChIKey

InChIKey=XUSAGBLNIJPSFR-UHFFFAOYSA-N

Formula

C29H32N4O5S

Mass

548.66

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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 - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dihydroisoquinoline - Phenylacetamide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Thioether - Azacycle - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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