Compound Identification
SMILES
CCCCCC1=CC=C(CCC2=CC=C(S2)C(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)C[N+](C)(C)C)C=C1
InChIKey
InChIKey=NEKOMKKNGNKSHT-OAQYLSRUSA-O
Formula
C27H36F3N2O4S
Mass
541.65
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
Thiophene carboxamides 2-heteroaryl carboxamides 2,5-disubstituted thiophenes Benzene and substituted derivatives Dicarboxylic acids and derivatives Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Carboxylic acid anhydrides Secondary carboxylic acid amides Organofluorides Carbonyl compounds Hydrocarbon derivatives Amines Alkyl fluorides Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid anhydride - Quaternary ammonium salt - Thiophene - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Heteroaromatic compound - Tetraalkylammonium salt - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organic cation - 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