Compound Identification
SMILES
CCCCCC1(CCCCC)O[C@H]2[C@@H](O1)[C@H]1C[C@@]3([C@@H]2ON(CC2=CC=CC=C2C=COCCO)[C@@H]3C(=O)O1)C(=O)NCC1=CC=CC(=C1)C(=O)N[C@H](CO)CCC(=O)OC(C)(C)C
InChIKey
InChIKey=XQTXXQVYUONFKO-SOMDZSAHSA-N
Formula
C48H67N3O12
Mass
878.073
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Gamma amino acids and derivatives Benzamides Styrenes Benzoyl derivatives Ketals Fatty acid esters Delta valerolactones Oxanes Dicarboxylic acids and derivatives 1,3-dioxolanes Isoxazolidines Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Gamma amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Styrene - Delta_valerolactone - Ketal - Delta valerolactone - Fatty acid ester - Oxane - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Meta-dioxolane - Isoxazolidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactone - Organoheterocyclic compound - N-organohydroxylamine - Azacycle - Acetal - Oxacycle - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organic oxygen 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