Compound Identification
SMILES
O=C(NC(CC1=CNC2=CC=CC=C12)C(=O)OCC1=CC=CC=C1)C1=COC(=N1)C1CCCNC1
InChIKey
InChIKey=VPQRPCCNAPSUOH-UHFFFAOYSA-N
Formula
C27H28N4O4
Mass
472.545
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Alpha amino acid esters 3-alkylindoles Benzyloxycarbonyls 2-heteroaryl carboxamides 2,4-disubstituted oxazoles Aralkylamines Fatty acid esters Substituted pyrroles Piperidines Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Piperidine - Substituted pyrrole - Benzenoid - Fatty acyl - Pyrrole - Azole - Oxazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - Organonitrogen 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