Compound Identification
SMILES
CNC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C1=NC2=C(N1)C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=SDFYCYFGLLGGFF-UHFFFAOYSA-N
Formula
C21H25N5O4
Mass
411.462
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid amides
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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
Alpha amino acid amides
Alternative Parents
Benzimidazoles Benzylethers Nitroaromatic compounds Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Dialkylamines Organic oxoazanium compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - Benzimidazole - Benzylether - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkyl ether - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available