Structure Information
Structure

Compound Identification

SMILES

CC1(C)NC(C(=O)N1C1C2SC(C)(C)C(N2C1=O)C(=O)OC1OC(=O)C2=CC=CC=C12)C1=CCC=CC1

InChIKey

InChIKey=SHMBHRXANYYVCT-UHFFFAOYSA-N

Formula

C27H29N3O6S

Mass

523.6

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 - Alpha-amino acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Imidazolidinone - Benzenoid - Dicarboxylic acid or derivatives - Thiazolidine - Imidazolidine - Tertiary carboxylic acid amide - Carboxamide group - Azetidine - Lactone - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - 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

Previous Back Next