Compound Identification
SMILES
COC(=O)C(\NC(=O)C(OC(=O)C1=CC=CC=C1)C1CCCCC1)=C/N1CCN(CC1)C1=CC=CC=N1
InChIKey
InChIKey=GTKHRZITGJNRTR-BSYVCWPDSA-N
Formula
C28H34N4O5
Mass
506.603
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
Pyridinylpiperazines N-arylpiperazines Benzoic acid esters Dialkylarylamines Benzoyl derivatives Aminopyridines and derivatives Imidolactams Vinylogous amides Methyl esters Heteroaromatic compounds Enoate esters Trialkylamines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Pyridinylpiperazine - N-arylpiperazine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Aminopyridine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Imidolactam - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Enamine - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - 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