Compound Identification
SMILES
CCOC(=O)C1CCCN(C1)C(=O)CCN(CC1CCCO1)C(=O)C1=NC=CN=C1
InChIKey
InChIKey=YFAGTQJYXUSGLA-UHFFFAOYSA-N
Formula
C21H30N4O5
Mass
418.494
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Pyrazinecarboxamides Piperidinecarboxylic acids N-acylpiperidines 2-heteroaryl carboxamides Tertiary carboxylic acid amides Heteroaromatic compounds Oxolanes Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - N-acyl-piperidine - Piperidinecarboxylic acid - Pyrazinecarboxamide - Pyrazine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Piperidine - Pyrazine - Heteroaromatic compound - Oxolane - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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