Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C([NH3+])C1=CC=CC=C1)C2=O

InChIKey

InChIKey=PFOLLRNADZZWEX-UHFFFAOYSA-O

Formula

C21H28N3O7S

Mass

466.53

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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 amide - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Carbonic acid diester - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Carbonic acid derivative - Azetidine - Azacycle - Hemithioaminal - Thioether - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic cation - 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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