Compound Identification
SMILES
CCCCCC1(CCCCC)O[C@H]2[C@@H](O1)[C@H]1C[C@@]3([C@@H]2ON(CC2=CC=CC=C2C=CC(=O)O[C@H]2C(=O)OCC2(C)C)[C@@H]3C(=O)O1)C(=O)N1CCC[C@@H]1C(=O)NCCO
InChIKey
InChIKey=DKJKWNKVZZTOIY-MQWNDIHKSA-N
Formula
C43H59N3O12
Mass
809.954
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
-
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
Proline and derivatives Alpha amino acid amides Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Pyrrolidinecarboxamides N-acylethanolamines N-acylpyrrolidines Delta valerolactones Fatty acid esters Ketals Oxanes Gamma butyrolactones 1,3-dioxolanes Tertiary carboxylic acid amides Enoate esters Oxolanes Isoxazolidines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid ester - Cinnamic acid ester - Cinnamic acid or derivatives - Alpha-amino acid amide - Tricarboxylic acid or derivatives - N-acylpyrrolidine - N-acylethanolamine - Pyrrolidine carboxylic acid or derivatives - Styrene - Pyrrolidine-2-carboxamide - Ketal - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Gamma butyrolactone - Meta-dioxolane - Alpha,beta-unsaturated carboxylic ester - Isoxazolidine - Enoate ester - Pyrrolidine - Tertiary carboxylic acid amide - Oxolane - Lactone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Acetal - Alkanolamine - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen 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