Compound Identification
SMILES
COC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C1=COC(CCN)=N1
InChIKey
InChIKey=QMPKGJMLIQTRBL-UHFFFAOYSA-N
Formula
C13H21N7O6
Mass
371.354
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
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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
Alpha amino acid esters 2-arylethylamines 2-heteroaryl carboxamides 2,4-disubstituted oxazoles Aralkylamines Nitroguanidines Fatty acid esters Nitramines Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidamides Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - 2-heteroaryl carboxamide - 2-arylethylamine - Fatty acid ester - Aralkylamine - 2,4-disubstituted 1,3-oxazole - Nitroguanidine - Fatty acyl - Azole - Heteroaromatic compound - Methyl ester - Nitramine - Oxazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Guanidine - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic salt - Primary aliphatic amine - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic 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