Compound Identification
SMILES
CN(CC(=O)OC(C)(C)C)C1=NC=NC(N2CCN(CC2)C2CCCCC2)=C1[N+]([O-])=O
InChIKey
InChIKey=RKZIBUXRJRSXLM-UHFFFAOYSA-N
Formula
C21H34N6O4
Mass
434.541
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 esters
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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 esters
Alternative Parents
N-arylpiperazines Dialkylarylamines Nitroaromatic compounds Aminopyrimidines and derivatives Cyclohexylamines N-alkylpiperazines Imidolactams Heteroaromatic compounds Trialkylamines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-arylpiperazine - Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Cyclohexylamine - Imidolactam - Piperazine - Pyrimidine - 1,4-diazinane - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available