Compound Identification
SMILES
CC1=C(Cl)C=C2C(COC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)=CC(=O)OC2=C1
InChIKey
InChIKey=TWSMNEPQKPPYLM-KBPBESRZSA-N
Formula
C21H18ClNO6
Mass
415.83
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
Indolyl carboxylic acids and derivatives Coumarins and derivatives 1-benzopyrans Isoindolones Indoles Isoindoles Pyranones and derivatives N-substituted carboxylic acid imides N-alkylpyrrolidines Aryl chlorides Pyrrolidine-2-ones Benzenoids Heteroaromatic compounds Dicarboximides Lactones Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indolyl carboxylic acid derivative - Coumarin - Benzopyran - Isoindolone - 1-benzopyran - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Pyran - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide - Pyrrolidine - Heteroaromatic compound - Dicarboximide - Carboxylic acid ester - Lactone - Lactam - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen 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