Compound Identification
SMILES
CC1=CN(CC2=CC(NC(=O)C3CNCCN3C(=O)OC3CCCCC3)=CC=C2)C=N1
InChIKey
InChIKey=OYHCOGKAQXGAIF-UHFFFAOYSA-N
Formula
C23H31N5O3
Mass
425.533
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
-
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
Alpha amino acids and derivatives Anilides Piperazine carboxylic acids Piperazine carboxamides Imidazolyl carboxylic acids and derivatives N-arylamides N-substituted imidazoles Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Tertiary amines Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Piperazine-2-carboxamide - Piperazine-1-carboxylic acid - Anilide - Imidazolyl carboxylic acid derivative - N-arylamide - N-substituted imidazole - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Imidazole - Carbamic acid ester - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen 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