Compound Identification
SMILES
CCC=CCC1C(CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CCC1=O
InChIKey
InChIKey=LLOUZRAESFOGAZ-UHFFFAOYSA-N
Formula
C25H42N2O6S
Mass
498.68
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 acyl thioesters N-acyl amines Monosaccharides Thioesters Secondary carboxylic acid amides Secondary alcohols Cyclic ketones Carbothioic S-esters Sulfenyl compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Fatty acyl thioester - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carboxamide group - Ketone - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Cyclic ketone - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Aliphatic 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