Structure Information
Structure

Compound Identification

SMILES

CC(C)COC(=O)C1N2C(C(NC(=O)C(C)(C)OC3=CC=CC=C3[N+]([O-])=O)C2=O)S(=O)(=O)C1(C)C

InChIKey

InChIKey=BTWQVTXOYFXUSP-UHFFFAOYSA-N

Formula

C22H29N3O9S

Mass

511.55

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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 - Nitrophenyl ether - Alpha-amino acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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