Compound Identification
SMILES
BrC1=CN=CC(=C1)C(=O)N1CC[C@@H](NCC2=CN=CN2CC2=CC=C(C=C2)C#N)C1=O
InChIKey
InChIKey=UMNUGEIXQBLVCO-HXUWFJFHSA-N
Formula
C22H19BrN6O2
Mass
479.338
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
Pyridinecarboxylic acids and derivatives Benzonitriles N-acylpyrrolidines Aralkylamines Pyrrolidine-2-ones Aryl bromides N-substituted imidazoles N-substituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Lactams Azacyclic compounds Nitriles Dialkylamines Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Benzonitrile - N-acylpyrrolidine - Aralkylamine - Aryl bromide - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - 2-pyrrolidone - Pyrrolidone - Pyridine - Azole - Pyrrolidine - Dicarboximide - Imidazole - Carboxylic acid imide - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Nitrile - Carbonitrile - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic 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