Compound Identification
SMILES
CCOC1=CC=C(NCCCNCCC(=O)N(C)C2CNC(NC3=CC=CC=C3)=NC2)C=C1
InChIKey
InChIKey=DNMPAWYQVPWTKZ-UHFFFAOYSA-N
Formula
C25H36N6O2
Mass
452.603
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
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Aminophenyl ethers Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Hydropyrimidines Tertiary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Aminophenyl ether - Phenoxy compound - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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