Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC(=C1)N1C[C@H](CC1=O)C(=O)OCC(=O)NCC(=O)N(C)C

InChIKey

InChIKey=PTIABHFOHKXTJX-LBPRGKRZSA-N

Formula

C18H23N3O5S

Mass

393.46

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 1-phenylpyrrolidine - Aryl thioether - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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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