Compound Identification
SMILES
COC(=O)[C@]1(OC[C@]1(C#N)N1CCOCC1)C1=CC=CC=C1
InChIKey
InChIKey=ONUBLGRVMNWFDU-JKSUJKDBSA-N
Formula
C16H18N2O4
Mass
302.33
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
-
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 Morpholines 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 - 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