Compound Identification
SMILES
OC(=O)C(Cl)(Cl)Cl.COC(=O)[C@H](N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl
InChIKey
InChIKey=OOHKGVWDXVDYAG-XFULWGLBSA-N
Formula
C18H17Cl4NO4S
Mass
485.2
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 Aryl chlorides Thiophenes Alpha-halocarboxylic acids Methyl esters Heteroaromatic compounds Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides
Molecular Framework
Not available
Substituents
Alpha-amino acid ester - Thienopyridine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Thiophene - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Alkyl chloride - Alkyl halide - 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