Compound Identification
SMILES
CNC(=O)[C@@H](NC(=O)C1=C2CN(C)CCCN2C(=N1)C1=CC=CC=C1F)C(C)(C)C
InChIKey
InChIKey=WYAFLKJYAJPLLE-GOSISDBHSA-N
Formula
C22H30FN5O2
Mass
415.513
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Valine and derivatives Alpha amino acid amides Phenylimidazoles Imidazodiazepines 2-heteroaryl carboxamides Aralkylamines Carbonylimidazoles Fluorobenzenes 1,4-diazepines Aryl fluorides N-acyl amines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - 2-phenylimidazole - Imidazo-para-diazepine - Imidazodiazepine - 2-heteroaryl carboxamide - Fluorobenzene - Para-diazepine - Halobenzene - Imidazole-4-carbonyl group - Aralkylamine - Benzenoid - N-acyl-amine - Fatty amide - N-substituted imidazole - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available