Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.NCC(=O)OCO\C(C1=CC=CS1)=C1\C(=O)N(C(N)=O)C2=CC(Cl)=C(F)C=C12
InChIKey
InChIKey=XTDNFFGBEAATEN-WPDLWGESSA-N
Formula
C24H21ClFN3O8S2
Mass
598.01
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
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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
Indolecarboxylic acids and derivatives N-acyl ureas Aryl chlorides Aryl fluorides Benzenoids Vinylogous esters Thiophenes Heteroaromatic compounds Dicarboximides Carboxylic acid esters Acetals Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Indolecarboxylic acid derivative - Indole or derivatives - Ureide - N-acyl urea - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Dicarboximide - Heteroaromatic compound - Vinylogous ester - Thiophene - Carboxylic acid ester - Urea - Carbonic acid derivative - Acetal - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary amine - Organic nitrogen compound - Amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organofluoride - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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