Compound Identification
SMILES
CC(C)[C@H](NC(=O)CN(C1CC1)C1=NC=NC2=C1N=CN2C1CCCCO1)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=BDQXBSNRBLBQLN-WCSIJFPASA-N
Formula
C27H34N6O4
Mass
506.607
Taxonomic Classification
Taxonomy Tree
-
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
-
Class
Carboxylic acids and derivatives
-
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
Valine and derivatives Alpha amino acid esters 6-alkylaminopurines Benzyloxycarbonyls Dialkylarylamines Aminopyrimidines and derivatives Fatty acid esters Oxanes N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - 6-alkylaminopurine - 6-aminopurine - Benzyloxycarbonyl - Imidazopyrimidine - Purine - Dialkylarylamine - Aminopyrimidine - Fatty acid ester - Monocyclic benzene moiety - N-substituted imidazole - Oxane - Fatty acyl - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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