Compound Identification
SMILES
CN1C(CCC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)N(CC1=CC=NC=C1)C(=O)CN1CCC(CC1)NC1=CC=CC=C1Br
InChIKey
InChIKey=AFLUDYMVJBQRPG-UHFFFAOYSA-N
Formula
C36H39BrN8O
Mass
679.667
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzimidazoles 2-bromoanilines Phenylalkylamines Aminopiperidines Bromobenzenes Secondary alkylarylamines N-substituted imidazoles Aryl bromides Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Carboximidamides Carboxamidines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzimidazole - 2-bromoaniline - Phenylalkylamine - Aniline or substituted anilines - 4-aminopiperidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Amidine - Azacycle - Carboximidamide - Secondary amine - Carboxylic acid amidine - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available