Compound Identification
SMILES
CC#CCC(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS
InChIKey
InChIKey=YQHQFANLQBJFHA-UHFFFAOYSA-N
Formula
C16H26N2O5S
Mass
358.45
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
Fatty acid esters N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Alkylthiols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta amino acid or derivatives - Fatty acid ester - Fatty amide - Monosaccharide - Fatty acyl - N-acyl-amine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Alkylthiol - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aliphatic acyclic 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