Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(COC(C)(C)C)NC(=O)NC1=CC=C(C=C1)C#N

InChIKey

InChIKey=LAPKDTURVGAMDQ-UHFFFAOYSA-N

Formula

C16H21N3O4

Mass

319.361

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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-carbamoyl-alpha amino acids and derivatives

Direct Parent

N-carbamoyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - N-phenylurea - Benzonitrile - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Urea - Carbonic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Aromatic homomonocyclic compound

Description

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

External Descriptors

Not available

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