Structure Information
Structure

Compound Identification

SMILES

C[C@]1(CBr)S[C@@H]2[C@H](N3C(=O)C4=CC=CC=C4C3=O)C(=O)N2[C@H]1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=IQIBZAXOIGZGDW-BPVRBSMNSA-N

Formula

C23H18BrN3O7S

Mass

560.38

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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 - Phthalimide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Isoindolone - Nitrobenzene - Isoindole or derivatives - Isoindole - Isoindoline - Nitroaromatic compound - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Carboxylic acid imide - Carboxamide group - Organic nitro compound - C-nitro compound - Azetidine - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - Alkyl bromide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organobromide - 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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