Compound Identification
SMILES
COC(=O)CN1N=NC(=N1)C1=C2NC=C(C(=O)C(=O)N3CCN(CC3)C3=NC=CC4=CC=CC=C34)C2=C(OC)C=C1
InChIKey
InChIKey=JYJUMGOEEVBXNH-UHFFFAOYSA-N
Formula
C28H26N8O5
Mass
554.567
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
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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
Alpha amino acid esters
Alternative Parents
N-arylpiperazines Pyridinylpiperazines Isoquinolines and derivatives Indoles Anisoles Dialkylarylamines Aryl ketones Aminopyridines and derivatives Alkyl aryl ethers Substituted pyrroles Imidolactams Tetrazoles Tertiary carboxylic acid amides Vinylogous amides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Pyridinylpiperazine - N-arylpiperazine - Isoquinoline - Indole - Indole or derivatives - Anisole - Dialkylarylamine - Phenol ether - Aryl ketone - Alkyl aryl ether - Aminopyridine - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Substituted pyrrole - Benzenoid - Methyl ester - Tetrazole - Tertiary carboxylic acid amide - Vinylogous amide - Pyrrole - Azole - Heteroaromatic compound - Carboxamide group - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Azacycle - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available