Compound Identification
SMILES
CC(C)(NCCCNC1=NC(NC2=CC(NC(=O)C(N)CC3=CC=CC=C3)=CC=C2)=NC=C1Br)C(N)=O
InChIKey
InChIKey=LWILYSIUFRMVCW-UHFFFAOYSA-N
Formula
C26H33BrN8O2
Mass
569.508
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
-
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
Alpha amino acid amides Amphetamines and derivatives Anilides N-arylamides Aniline and substituted anilines Aminopyrimidines and derivatives Aralkylamines Halopyrimidines Imidolactams Aryl bromides Fatty amides Heteroaromatic compounds Primary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Carbonyl compounds Monoalkylamines Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Anilide - N-arylamide - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aralkylamine - Pyrimidine - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Fatty amide - Aryl bromide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Primary aliphatic amine - Amine - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary amine - Aromatic heteromonocyclic 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