Compound Identification
SMILES
CC(OC1=CC=C(CC(NC2=CC=CC=C2C(=O)C2=CC=CC=C2)C(O)=O)C=C1)C1=NC2=C(N1)C=C(OC1=CC(C)=C(NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(C)=C1)C=C2
InChIKey
InChIKey=VTEOPOLFBORXNQ-UHFFFAOYSA-N
Formula
C47H40F3N5O6
Mass
827.861
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
Benzophenones Aryl-phenylketones Diphenylmethanes Diarylethers Phenylpropanoic acids Trifluoromethylbenzenes Amphetamines and derivatives N-phenylureas Alpha amino acids Benzimidazoles m-Xylenes Benzoyl derivatives Phenylalkylamines Aniline and substituted anilines Phenoxy compounds Phenol ethers Secondary alkylarylamines Alkyl aryl ethers Heteroaromatic compounds Imidazoles Vinylogous amides Ureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Benzophenone - Diphenylmethane - Aryl-phenylketone - Diaryl ether - 3-phenylpropanoic-acid - N-phenylurea - Alpha-amino acid - Amphetamine or derivatives - Trifluoromethylbenzene - Benzimidazole - Phenoxy compound - Phenol ether - M-xylene - Benzoyl - Aryl ketone - Xylene - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Urea - Ketone - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organofluoride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available