Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(OC[C@@]1(C#N)N1CCOCC1)C1=CC=CC=C1

InChIKey

InChIKey=ONUBLGRVMNWFDU-CVEARBPZSA-N

Formula

C16H18N2O4

Mass

302.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Sugar amino acids and derivatives

Direct Parent

Oxetane amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Oxetane amino acid - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Methyl ester - Alpha-aminonitrile - Amino acid or derivatives - Carboxylic acid ester - Oxetane - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Carbonyl group - Cyanide - Organic oxide - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as oxetane amino acids and derivatives. These are sugar amino acids containing an oxetane ring between the carboxy- and the amino terminals of the amino acid chain.

External Descriptors

Not available

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