Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC2=CC=CC=C2C(CC2=C(O)C(=CC3=CC=CC=C23)C(O)=O)=C1O.CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O

InChIKey

InChIKey=APIVUZZSBQCAPQ-FLBRFTAHSA-N

Formula

C45H45N3O12S

Mass

851.92

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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 - Alpha-amino acid ester - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 2-naphthol - Alpha-amino acid or derivatives - Naphthalene - Hydroxybenzoic acid - Salicylic acid or derivatives - Phenylacetamide - Acylal - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Thiazolidine - Tertiary carboxylic acid amide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid or derivatives - Carboxylic acid ester - Acetal - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Thioether - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Primary amine - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - 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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