Compound Identification
SMILES
[Br-].COC(=O)C[N+]1(C)CC[C@H](C1)OC(=O)[C@](O)(C1CCCC1)C1=CC=CC=C1
InChIKey
InChIKey=BYLYKBTVPVGVIU-QGYMJBKVSA-M
Formula
C21H30BrNO5
Mass
456.377
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
N-alkylpyrrolidines Dicarboxylic acids and derivatives Benzene and substituted derivatives Tetraalkylammonium salts Tertiary alcohols Methyl esters Azacyclic compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Tertiary alcohol - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Organic nitrogen compound - Organic bromide salt - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available