Compound Identification
SMILES
O[C@H](C(NC1=CC(OCC2=NC3=CC=CC=C3C=C2)=CC=C1)C1=C(F)C=C(F)C=C1)C(O)=O
InChIKey
InChIKey=RDWIWHJTWDOPRL-XMMISQBUSA-N
Formula
C25H20F2N2O4
Mass
450.442
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
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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
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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
Phenylpropanoic acids Quinolines and derivatives Aminophenyl ethers Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Fluorobenzenes Alpha hydroxy acids and derivatives Pyridines and derivatives Aryl fluorides Monosaccharides Heteroaromatic compounds Amino acids Secondary alcohols Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Quinoline - Aminophenyl ether - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Hydroxy acid - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-hydroxy acid - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Azacycle - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Amine - 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