Compound Identification
SMILES
CCC(C)C(NC(=O)C1=CC(=C(C)C=C1)[N+]([O-])=O)C(=O)NC1=NN=C(S1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=SPVIMJIWZMZKGT-UHFFFAOYSA-N
Formula
C22H22BrN5O4S
Mass
532.41
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
-
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
Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides p-Toluamides Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Bromobenzenes Aryl bromides Fatty amides Heteroaromatic compounds Thiadiazoles Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Nitrobenzene - P-toluamide - Toluamide - Benzamide - Nitrotoluene - Benzoic acid or derivatives - Nitroaromatic compound - N-arylamide - Benzoyl - Toluene - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organohalogen compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic zwitterion - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic 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