Compound Identification
SMILES
Br.NC(CC1=CC=CC=C1)C(=O)NC1=CC2=C(C=C1)C(C1=C(O2)C=C(NC(=O)C2=C(F)C(F)=C(F)C(F)=C2F)C=C1)C1=C(C(O)=O)C(O)=CC=C1
InChIKey
InChIKey=WPSXJKMKVANXRX-UHFFFAOYSA-N
Formula
C36H25BrF5N3O6
Mass
770.507
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
-
Level 5
Amino acids and derivatives
-
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
-
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
Xanthenes Alpha amino acid amides Diarylethers 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Amphetamines and derivatives Salicylic acids Benzamides Benzoic acids N-arylamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Fluorobenzenes Aryl fluorides Fatty amides Vinylogous acids Vinylogous halides Secondary carboxylic acid amides Amino acids Oxacyclic compounds Carboxylic acids Monoalkylamines Hydrobromides Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Dibenzopyran - Xanthene - Alpha-amino acid amide - Diaryl ether - Hydroxybenzoic acid - Amphetamine or derivatives - Salicylic acid or derivatives - Salicylic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoic acid - N-arylamide - Benzoyl - Fluorobenzene - Aralkylamine - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Fatty amide - Benzenoid - Vinylogous acid - Vinylogous halide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrobromide - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organooxygen compound - Organonitrogen 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