Compound Identification
SMILES
CC1=CC=CC=C1NC(=O)C1C(C2=CC=CS2)C(C#N)=C(NC1(C)O)SCC(=O)NC1=CC=CC=C1
InChIKey
InChIKey=OJRANMWRKUXMSI-UHFFFAOYSA-N
Formula
C27H26N4O3S2
Mass
518.65
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
-
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
Anilides N-arylamides Toluenes Tetrahydropyridines Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Sulfenyl compounds Nitriles Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Anilide - N-arylamide - Tetrahydropyridine - Toluene - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Alkanolamine - Carbonitrile - Nitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic 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