Structure Information
Structure

Compound Identification

SMILES

O=C(COC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)NCCC#N

InChIKey

InChIKey=JTXWUIVWWZXLSG-JRQWYPPZSA-N

Formula

C21H29N3O4

Mass

387.48

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha-amino acid - Proline or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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