Compound Identification
SMILES
NC1=CC=C(CN2CCN(CC3=CC=C(NC4=NC=CC=N4)C=C3)C(=O)C2=O)C=C1
InChIKey
InChIKey=VPHAUWMKEGFSQN-UHFFFAOYSA-N
Formula
C22H22N6O2
Mass
402.458
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Dioxopiperazines Aniline and substituted anilines N-alkylpiperazines Aminopyrimidines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Dioxopiperazine - Aniline or substituted anilines - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - 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