Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)N(CC1=CC=C(C=C1)C(=O)NCC(F)(F)C(O)=O)C(=O)NC1=CC2=C(OC(F)(F)OC2(F)F)C=C1
InChIKey
InChIKey=KTXQVQRJLYQJKU-UHFFFAOYSA-N
Formula
C30H27F6N3O6
Mass
639.551
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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 Phenylpropanes Benzamides Benzoyl derivatives Alpha-halocarboxylic acids Ureas Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives 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 - Phenylpropane - Benzoyl - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Urea - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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