Structure Information
Structure

Compound Identification

SMILES

[H]C(C(=O)OC1=CC=CC=C1)(C(O)=N[C@]1([H])C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C(O)=O)C1=CC=CC=C1

InChIKey

InChIKey=NZDASSHFKWDBBU-KVMCETHSSA-N

Formula

C23H22N2O6S

Mass

454.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Phenol ester - Phenoxy compound - Penam - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Dialkylthioether - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

CHEBI:3414 : penicillin

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