Compound Identification
SMILES
OCCNC(=O)[C@H]1CCCN1C(=O)C1=C[C@H]2OCO[C@H]2[C@@H](C1)OC(=O)C1=CC=C(C=CC(=O)OCC(F)(F)F)C=C1
InChIKey
InChIKey=ITBSLUGKOHQYLQ-YYTDSSBASA-N
Formula
C27H29F3N2O9
Mass
582.529
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 Proline and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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
Proline and derivatives
Alternative Parents
Alpha amino acid amides Cinnamic acid esters Benzoic acid esters Styrenes Pyrrolidinecarboxamides Benzoyl derivatives N-acylpyrrolidines N-acylethanolamines Fatty acid esters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides 1,3-dioxolanes Enoate esters Secondary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Organofluorides Organopnictogen compounds Alkyl fluorides Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Cinnamic acid ester - Cinnamic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Pyrrolidine-2-carboxamide - Styrene - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - N-acylethanolamine - Benzoyl - Fatty acid ester - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Meta-dioxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Alkanolamine - Acetal - Organoheterocyclic compound - Azacycle - Oxacycle - Alkyl fluoride - Alcohol - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Primary alcohol - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available