Compound Identification
SMILES
COC1=C(OCC(C)(C)OC(=O)CN)C=CC(=C1)N1C=NN2C=C(C=C2C1=O)C1=NC=C(Cl)C=C1
InChIKey
InChIKey=TWBJZUVNNVQVQP-UHFFFAOYSA-N
Formula
C24H24ClN5O5
Mass
497.94
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
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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
Pyrrolo[2,1-f][1,2,4]triazines Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives 1,2,4-triazines Aryl chlorides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Pyrrolo[2,1-f][1,2,4]triazine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Amine - 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