Compound Identification
SMILES
COC(=O)C(N)CCOC1=CC=C(CCCCN(C(N)=N)C(=O)C2=C(N)N=C(N)C(Cl)=N2)C=C1
InChIKey
InChIKey=IRNYXXCRMMVTGK-UHFFFAOYSA-N
Formula
C21H29ClN8O4
Mass
492.97
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
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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
Phenylbutylamines Pyrazinecarboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrazines Fatty acid esters Aryl chlorides Imidolactams Vinylogous amides Methyl esters Heteroaromatic compounds Guanidines Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Hydrocarbon derivatives Carbonyl compounds Imines Monoalkylamines Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenylbutylamine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrazine - Fatty acid ester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Guanidine - Carboximidamide - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Imine - Organooxygen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - 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