Compound Identification
SMILES
CC[C@H](C)[C@H](NC(=O)C1=CC=C(Br)C=C1)C(=O)OC
InChIKey
InChIKey=HVZKSIJQKYVXMM-CABZTGNLSA-N
Formula
C14H18BrNO3
Mass
328.206
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 Isoleucine 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
Isoleucine and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Fatty acid esters Bromobenzenes Aryl bromides Methyl esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Fatty acid ester - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Fatty acyl - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as isoleucine and derivatives. These are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available