Compound Identification
SMILES
CSC[C@H](NC(=O)C(N)C(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)S(C)(=O)=O)C=O
InChIKey
InChIKey=XJPDHYDVUWVXIF-KREAIGTHSA-N
Formula
C19H25Cl2N3O8S2
Mass
558.44
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
Alpha amino acid amides Benzenesulfonyl compounds 1,3-dicarbonyl compounds Sulfones Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Hydrocarbon derivatives Monoalkylamines Aromatic alcohols Organic oxides Alkyl chlorides Aldehydes Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Alpha-amino acid amide - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Sulfonyl - Sulfone - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary amine - Primary aliphatic amine - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Aldehyde - Aromatic homomonocyclic 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