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
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
- 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-heteroaryl carboxamides Fatty acid esters Nitroguanidines Aralkylamines 2,4-disubstituted oxazoles Piperidines Nitramines Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Carboximidamides Dialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
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