Structure Information
Structure

Compound Identification

SMILES

NC(CCCN=C(N)N)C(O)=O.CC1(C)S[C@@H]2[C@H](NC(=O)C(N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O

InChIKey

InChIKey=FKMNYBIXLSOLPF-GJUCOGTPSA-N

Formula

C22H33N7O6S

Mass

523.61

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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 amide - Alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Fatty acid - Tertiary carboxylic acid amide - Thiazolidine - Guanidine - Azetidine - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Hemithioaminal - Thioether - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - 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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