Compound Identification
SMILES
CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC=CC1=CC=C2OCOC2=C1
InChIKey
InChIKey=YSVXZBDTSFWTRK-UHFFFAOYSA-N
Formula
C23H30N2O7S
Mass
478.56
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
Benzodioxoles Styrenes Fatty acyl thioesters Monosaccharides N-acyl amines Thioesters Carbothioic S-esters Secondary carboxylic acid amides Secondary alcohols Acetals Sulfenyl compounds Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - Styrene - Fatty acyl thioester - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Benzenoid - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic 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