Compound Identification
SMILES
Cl.CCOC(=O)CCNCC(O)COC1=CC=C(CCC(=O)OC)C=C1
InChIKey
InChIKey=QPNAREOPWNRCEQ-UHFFFAOYSA-N
Formula
C18H28ClNO6
Mass
389.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Fatty acid esters Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Secondary alcohols 1,2-aminoalcohols Dialkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Methyl ester - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Ether - Hydrochloride - Alcohol - Organic oxide - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available