Compound Identification
SMILES
CN(C(CC1=CC=CC=C1)C(=O)NCCO)C(=O)C12CC3OC(=O)C1N(CC1=CC=C(C=CC(=O)OCC(F)(F)F)C=C1)OC2C1OC2(CC4=CC=CC=C4C2)OC31
InChIKey
InChIKey=IVHVLORKJOQVMW-UHFFFAOYSA-N
Formula
C42H42F3N3O10
Mass
805.804
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 Phenylalanine and derivatives
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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
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid esters Cinnamic acid esters Amphetamines and derivatives Indanes Styrenes N-acylethanolamines Delta valerolactones Fatty acid esters Ketals Oxanes Dicarboxylic acids and derivatives Fatty amides Isoxazolidines 1,3-dioxolanes Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Carbonyl compounds Primary alcohols Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Cinnamic acid or derivatives - Cinnamic acid ester - Amphetamine or derivatives - Indane - N-acylethanolamine - Styrene - Ketal - Delta_valerolactone - Delta valerolactone - Fatty acid ester - Benzenoid - Fatty amide - Oxane - Dicarboxylic acid or derivatives - Fatty acyl - Monocyclic benzene moiety - Meta-dioxolane - Isoxazolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Alkanolamine - Oxacycle - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Alkyl fluoride - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available