Compound Identification
SMILES
CC(N1C(=O)C2C3CC(C=C3)C2C1=O)C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=DVSSZZYKNXCIRL-UHFFFAOYSA-N
Formula
C20H18BrNO5
Mass
432.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
Alkyl-phenylketones Alanine and derivatives Isoindolones Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl bromides Dicarboximides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alkyl-phenylketone - Alanine or derivatives - Isoindolone - Isoindole or derivatives - Phenylketone - Isoindoline - Aryl ketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Alpha-acyloxy ketone - Bromobenzene - Aryl bromide - Carboxylic acid imide, n-substituted - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Ketone - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic 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