Compound Identification
SMILES
O[C@H](CNC(=O)C1=CC=C(CN(C(=O)NC2=CC3=C(OC(F)(F)OC3(F)F)C=C2)C2=CC=C(C=C2)C2=CCCCC2)C=C1)C(O)=O
InChIKey
InChIKey=SPYNVKYBDKGKEH-AREMUKBSSA-N
Formula
C32H29F4N3O7
Mass
643.592
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
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzo-1,3-dioxanes N-phenylureas Benzamides Benzoyl derivatives Alpha hydroxy acids and derivatives Monosaccharides Secondary alcohols Secondary carboxylic acid amides Ureas Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzo-1,3-dioxane - Benzodioxane - N-phenylurea - Benzamide - Benzoic acid or derivatives - Benzoyl - Alpha-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Urea - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid - Organoheterocyclic compound - Organofluoride - Carbonyl group - Alkyl fluoride - Alcohol - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available