Compound Identification
SMILES
CCC1=C(C(C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OC)=C(C)N1)C(=O)NCC(=O)OC(C)(C)C
InChIKey
InChIKey=OBPGORVGNMHWJD-UHFFFAOYSA-N
Formula
C23H29N3O7
Mass
459.499
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 Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Secondary carboxylic acid amides Azacyclic compounds Enamines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Nitrobenzene - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Dicarboxylic acid or derivatives - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Enoate ester - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic salt - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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