Compound Identification
SMILES
CC(C)C[C@H](NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ZWCOPKNIQAQDTN-SFHVURJKSA-N
Formula
C21H20BrN3O8
Mass
522.308
Taxonomic Classification
Taxonomy Tree
-
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 Leucine and derivatives
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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
Leucine and derivatives
Alternative Parents
Alkyl-phenylketones Alpha amino acid esters N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alpha-acyloxy ketones Bromobenzenes Fatty acid esters Aryl bromides Secondary carboxylic acid amides Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic salts Organic zwitterions Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Leucine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alkyl-phenylketone - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Phenylketone - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Benzoyl - Alpha-acyloxy ketone - Bromobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organic salt - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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