Structure Information
Structure

Compound Identification

SMILES

C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.CC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(O)=O.CC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(O)=O

InChIKey

InChIKey=BBTOYUUSUQNIIY-UHFFFAOYSA-N

Formula

C48H56N6O10S2

Mass

941.13

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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

Not available

Substituents

Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Thioether - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Hemithioaminal - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - 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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