Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.COC(=O)[C@H](CC1=CC=CC(=C1)C([NH3+])=N)[C@H](NC(=O)C1=CC(C)=CC=C1)\C=C\C1=CC=CC=C1
InChIKey
InChIKey=KFXLJKDXRASFMA-NNHHTGDISA-N
Formula
C30H30F3N3O5
Mass
569.581
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 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
m-Toluamides Benzamides Styrenes Benzoyl derivatives Fatty acid esters Quaternary ammonium salts Alpha-halocarboxylic acids Methyl esters Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Carboxamidines Carboxylic acids Carboximidamides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Styrene - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Methyl ester - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxylic acid ester - Carboxamide group - Carboximidamide - Amidine - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Carboxylic acid - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organooxygen compound - Alkyl halide - Organofluoride - Aromatic homomonocyclic 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