Compound Identification
SMILES
NC(CCC=O)C(CC1=CC=CC=C1)(C(CO)C(=O)NCCCCC1CCCCC1)C(O)=O
InChIKey
InChIKey=WTLPMCHCUCXGQL-UHFFFAOYSA-N
Formula
C26H40N2O5
Mass
460.615
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
Phenylpropanoic acids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Amino fatty acids Aralkylamines Branched fatty acids Hydroxy fatty acids Benzene and substituted derivatives N-acyl amines Alpha-hydrogen aldehydes Amino acids Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Primary alcohols Monoalkylamines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Amino fatty acid - Branched fatty acid - Hydroxy fatty acid - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Fatty acid - Benzenoid - Alpha-hydrogen aldehyde - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Hydrocarbon derivative - Aldehyde - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Amine - Primary alcohol - Primary amine - Organooxygen compound - Aromatic homomonocyclic 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