Compound Identification
SMILES
CC(C)(C)C1=CC(NC(=O)N(CC2=CC=C(C=C2)C(=O)NCC(F)(F)C(O)=O)C2=CC=C(C=C2)C2CCCCC2)=CC=C1
InChIKey
InChIKey=PYFGXGUVOQVUES-UHFFFAOYSA-N
Formula
C34H39F2N3O4
Mass
591.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
N-phenylureas Phenylpropanes Benzamides Benzoyl derivatives Alpha-halocarboxylic acids Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - Phenylpropane - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Urea - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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