Compound Identification
SMILES
F[B-](F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](N)C(=O)NCC1=CC=C(CN2C=C[N+](C)=C2)C=C1
InChIKey
InChIKey=DQNCYWJGSJKILC-YHOFXEKLSA-O
Formula
C20H28BF7N4O3
Mass
516.27
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
Alpha amino acid amides N-substituted imidazoles N-acyl amines Benzene and substituted derivatives Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Organic metalloid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organofluorides Organic cations
Molecular Framework
Not available
Substituents
Isoleucine or derivatives - Alpha-amino acid amide - N-substituted imidazole - N-acyl-amine - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Fatty amide - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic metalloid salt - Azacycle - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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