Structure Information
Structure

Compound Identification

SMILES

CC1=C(COC(=O)C2N3C(SC2(C)C)C(NC(=O)C(N)C2=CC=CC=C2)C3=O)OC(=O)O1

InChIKey

InChIKey=ZKUKMWMSYCIYRD-UHFFFAOYSA-N

Formula

C21H23N3O7S

Mass

461.49

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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 - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Carbonic acid diester - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Azetidine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Primary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary 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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