Compound Identification
SMILES
NC(=O)C1=C2N=C(NC2=CC=C1)[C@]12C[C@H](CN1CCC(=O)N1CCNCC1)CCC2
InChIKey
InChIKey=NRLVYJDHFJZGBN-QRQCRPRQSA-N
Formula
C22H30N6O2
Mass
410.522
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
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Benzimidazoles Aralkylamines Azepanes Benzenoids N-alkylpyrrolidines Piperazines Imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Primary carboxylic acid amides Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzimidazole - Azepane - Aralkylamine - 1,4-diazinane - Benzenoid - N-alkylpyrrolidine - Piperazine - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Tertiary aliphatic amine - Primary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available