Compound Identification
SMILES
[Cs+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.COC(=O)[C@@H](N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl
InChIKey
InChIKey=JCUNCUFIDZVZBE-CFZZCFLMSA-J
Formula
C16H16ClCsNO10S3
Mass
646.84
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
Thienopyridines Aralkylamines Chlorobenzenes Pyridines and derivatives Organic sulfate salts Aryl chlorides Thiophenes Organic sulfuric acids and derivatives Methyl esters Heteroaromatic compounds Trialkylamines Organic metal halides Azacyclic compounds Organic alkali metal salts Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Thienopyridine - Chlorobenzene - Halobenzene - Aralkylamine - Pyridine - Organic sulfate salt - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Organic sulfuric acid or derivatives - Thiophene - Methyl ester - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic metal halide - Organoheterocyclic compound - Azacycle - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic cation - 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