Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](NC(=O)CC1=CC=CC=C1)[C@@H]1N[C@@H](C(=O)NCCNC(=O)[C@@H]2N3[C@H](SC2(C)C)C(NC(=O)CC2=CC=CC=C2)C3=O)C(C)(C)S1

InChIKey

InChIKey=NWLYQCATYRWKNH-JWXXOIAXSA-N

Formula

C35H44N6O7S2

Mass

724.89

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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 or derivatives - Phenylacetamide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Dialkylthioether - Hemithioaminal - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen 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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