Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1N2[C@@H]([C@H](NC(=O)COC3=CC=CC=C3)C2=O)S(=O)(=O)[C@@]1(C)CS(=O)(=O)C1=NN=C(C)S1

InChIKey

InChIKey=XKXRIYZPTSGYIU-MJEZEWASSA-N

Formula

C20H22N4O9S3

Mass

558.6

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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 - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Sulfone - Sulfonyl - Tertiary carboxylic acid amide - Thiadiazole - Thiazolidine - Methyl ester - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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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