Compound Identification
SMILES
CC1=C(CNC2=NC=C(C(NCC3CCC(CC3)N(CC(N)=O)CC(N)=O)=N2)[N+]([O-])=O)C=CC=C1Br
InChIKey
InChIKey=HHGBLGAYVZOCMU-UHFFFAOYSA-N
Formula
C23H31BrN8O4
Mass
563.457
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 Alpha amino acid amides
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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
Alpha amino acid amides
Alternative Parents
Benzylamines Nitroaromatic compounds Toluenes Secondary alkylarylamines Aminopyrimidines and derivatives Bromobenzenes Cyclohexylamines Aryl bromides Imidolactams Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid amide - Nitroaromatic compound - Benzylamine - Aminopyrimidine - Bromobenzene - Cyclohexylamine - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyrimidine - Benzenoid - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxide - Organic salt - Amine - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available