Compound Identification
SMILES
CCOC(=O)CN1C(SC2=C1C=CC(Cl)=C2)=NC(=O)CS(=O)(=O)CC(=O)NC1=C(C(=O)OCC)C2=C(CC(C)CC2)S1
InChIKey
InChIKey=WPTUHWRPPMXSQW-UHFFFAOYSA-N
Formula
C27H30ClN3O8S3
Mass
656.18
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
Benzothiazoles Thiophene carboxylic acids and derivatives N-arylamides Aryl chlorides Benzenoids Vinylogous amides Thiazoles Sulfones Heteroaromatic compounds Secondary carboxylic acid amides N-acylimines Isothioureas Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 1,3-benzothiazole - N-arylamide - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Sulfone - Vinylogous amide - Sulfonyl - Thiophene - Thiazole - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - N-acylimine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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