Compound Identification
SMILES
Cl.Cl.COC(=O)[C@@H]1C[C@@H](O)CN1C\C=C1\CN(CCC1S)C(C(=O)C1CC1)C1=CC=CC=C1F
InChIKey
InChIKey=BFMYIRHINJGDHQ-QTMOHMRSSA-N
Formula
C24H33Cl2FN2O4S
Mass
535.5
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
-
Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Proline and derivatives Pyrrolidine carboxylic acids Aralkylamines Fluorobenzenes Aryl fluorides Piperidines N-alkylpyrrolidines Alpha-amino ketones Methyl esters Secondary alcohols Trialkylamines 1,2-aminoalcohols Alkylthiols Azacyclic compounds Monocarboxylic acids and derivatives Hydrochlorides Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Piperidine - N-alkylpyrrolidine - Benzenoid - Aryl fluoride - Pyrrolidine - Alpha-aminoketone - Methyl ester - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Carboxylic acid ester - Ketone - Azacycle - Monocarboxylic acid or derivatives - Alkylthiol - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available