Compound Identification
SMILES
COC(=O)C1=CC=C(CNC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C=C1
InChIKey
InChIKey=AKNYIPWNRXXUMM-HOTGVXAUSA-N
Formula
C21H22N2O7
Mass
414.414
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
Benzoic acid esters Isoindolones Isoindoles Benzoyl derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Dicarboximides Methyl esters Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Isoindolone - Benzoate ester - Benzoic acid or derivatives - Isoindole or derivatives - Isoindole - Isoindoline - Benzoyl - 2-pyrrolidone - Pyrrolidone - Benzenoid - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - N-alkylpyrrolidine - Methyl ester - Dicarboximide - Pyrrolidine - Carboxylic acid imide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - 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