Compound Identification
SMILES
CCC(C)[C@H](NC(=O)C1=CC(CN)=CC=C1)C(=O)NCCCCC(C(C)=O)[N+]([O-])=O
InChIKey
InChIKey=JGEMXHFPKRNAAN-FPCQFERPSA-N
Formula
C21H32N4O5
Mass
420.51
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
-
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 Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines N-acyl amines Secondary carboxylic acid amides C-nitro compounds Ketones Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Organic zwitterions Monoalkylamines Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Benzamide - Benzoic acid or derivatives - Phenylmethylamine - Benzylamine - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Benzenoid - N-acyl-amine - Fatty acyl - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary amine - Organic zwitterion - Amine - Carbonyl group - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - Organic oxygen 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