Compound Identification
SMILES
COC1=CC=C(CNC(=O)COC(=O)CN2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=AGUIITMWJMAJDF-UHFFFAOYSA-N
Formula
C19H21N5O6
Mass
415.406
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
-
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
Xanthines 6-oxopurines Alkaloids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyrimidone - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Lactam - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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