Compound Identification
SMILES
CC(C)CC(NC1=CON=C1C1=CC=C(C=C1)N1CCNCC1)C(=O)NCC#N
InChIKey
InChIKey=QJJOJGFYOYHRKE-UHFFFAOYSA-N
Formula
C21H28N6O2
Mass
396.495
Taxonomic Classification
Taxonomy Tree
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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 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
Phenylpiperazines Alpha amino acid amides N-arylpiperazines Aniline and substituted anilines Dialkylarylamines Secondary alkylarylamines N-acyl amines Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkylamines Nitriles Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Leucine or derivatives - Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Fatty amide - N-acyl-amine - Piperazine - Benzenoid - Fatty acyl - Heteroaromatic compound - Azole - Isoxazole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Oxacycle - Organoheterocyclic compound - Secondary aliphatic amine - Nitrile - Carbonitrile - Organic oxide - Amine - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Aromatic heteromonocyclic 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