Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)OC1CCC2=C(C=CC(Br)=C2)C1=O)C(C)(C)C
InChIKey
InChIKey=ISOPDZOFLYKSMY-OMOCHNIRSA-N
Formula
C21H28BrNO5
Mass
454.361
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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
Valine and derivatives Tetralins Aryl alkyl ketones Fatty acid esters Alpha-acyloxy ketones Aryl bromides Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Tetralin - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Aryl bromide - Benzenoid - Aryl halide - Carbamic acid ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic 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