Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=C(N2[C@@H](S1)[C@H](NC(=O)COC1=CC=CC=C1)C2=O)C(=O)OC(C)(C)C

InChIKey

InChIKey=QNGQGHOAEUKHOJ-BEFAXECRSA-N

Formula

C21H26N2O5S

Mass

418.51

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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 - Phenoxy compound - Penem - Phenol ether - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Meta-thiazoline - Thiazole - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Monocarboxylic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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

Not available

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