Compound Identification
SMILES
COC(=O)[C@@]1(OC[C@@]1(C#N)N1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=SDOKJGQVUCVYAJ-CVEARBPZSA-N
Formula
C16H18N2O3
Mass
286.331
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Aralkylamines N-alkylpyrrolidines Benzene and substituted derivatives Methyl esters Trialkylamines Oxetanes Amino acids and derivatives Alpha-aminonitriles Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oxetane amino acid - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Methyl ester - Carboxylic acid ester - Oxetane - Tertiary amine - Alpha-aminonitrile - Amino acid or derivatives - Tertiary aliphatic amine - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Cyanide - Carbonyl group - Amine - Organic oxide - 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