Compound Identification
SMILES
CCCCCCCCCCCCC(Br)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
InChIKey
InChIKey=MOAZHKBPUCODHR-UHFFFAOYSA-N
Formula
C25H47BrN2O5S
Mass
567.62
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 Monosaccharides N-acyl amines Thioesters Secondary carboxylic acid amides Secondary alcohols Carbothioic S-esters Sulfenyl compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta amino acid or derivatives - Fatty acyl thioester - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organopnictogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl bromide - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - 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