Compound Identification
SMILES
COC(=O)C(CO)NC1=NC(=NC(NC2=CC(OC)=C(C=C2)C2=CN=CO2)=N1)C1=CC=CC=C1
InChIKey
InChIKey=FZMMHCRKIIRFKP-UHFFFAOYSA-N
Formula
C23H22N6O5
Mass
462.466
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
-
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
Serine and derivatives Phenyl-1,3-oxazoles Methoxyanilines 1,3,5-triazine-2,4-diamines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers N-aliphatic s-triazines Beta hydroxy acids and derivatives 1,3,5-triazines Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Serine or derivatives - Phenyl-1,3-oxazole - Methoxyaniline - Phenol ether - Phenoxy compound - 2,4-diamine-s-triazine - Aniline or substituted anilines - Methoxybenzene - Anisole - Alkyl aryl ether - Beta-hydroxy acid - N-aliphatic s-triazine - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - Benzenoid - Triazine - Hydroxy acid - 1,3,5-triazine - Methyl ester - Oxazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Amine - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic 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