Compound Identification
SMILES
OC(=O)[C@H](CC1=CC=C(NC(=O)C2=CC=NC3=CC=CC=C23)C=C1)NC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=NIEFSPXXHYBENH-QHCPKHFHSA-N
Formula
C26H20BrN3O4
Mass
518.367
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Aromatic anilides Hippuric acids N-acyl-alpha amino acids Quinoline carboxamides Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Pyridinecarboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Aromatic anilide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Hippuric acid or derivatives - Quinoline-4-carboxamide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Quinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen 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