Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CN(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C(O)=O)N=N1.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=MKSQUBMXXHSBRB-WEYWRNAUSA-N

Formula

C29H34N6O11S2

Mass

706.74

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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 or derivatives - Phenylacetamide - Thiepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Heteroaromatic compound - Thiolane - 1,2,3-triazole - Methyl ester - Vinylogous amide - Amino acid or derivatives - Azetidine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Ketone - Amino acid - Dialkylthioether - Azacycle - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - 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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