Compound Identification
SMILES
CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=APRVYNXXRHPGLX-UHFFFAOYSA-N
Formula
C22H30BrNO4
Mass
452.389
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 Leucine and derivatives
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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
Leucine and derivatives
Alternative Parents
Alkyl-phenylketones Alpha amino acid esters N-acyl-alpha amino acids and derivatives Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Fatty acid esters Aryl bromides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Fatty acid ester - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available