Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CCCN=C(N)N[N+]([O-])=O)NC(=O)C1=COC(=N1)C1CCCNC1

InChIKey

InChIKey=HDRWAJGCNVKDSG-UHFFFAOYSA-N

Formula

C16H25N7O6

Mass

411.419

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Nitroguanidine - Fatty acid ester - Aralkylamine - Piperidine - Fatty acyl - Azole - Heteroaromatic compound - Nitramine - Oxazole - Methyl ester - Carboxamide group - Carboxylic acid ester - Guanidine - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Secondary amine - Carboximidamide - Organoheterocyclic compound - Organic zwitterion - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic salt - Organic oxide - 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

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