Compound Identification
SMILES
COC(=O)CN1C(SC2=C1C=CC(Cl)=C2)=NC(=O)CSCC(=O)N1CCCC1
InChIKey
InChIKey=XTSXUGYURMBKBD-UHFFFAOYSA-N
Formula
C18H20ClN3O4S2
Mass
441.95
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
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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 N-acylpyrrolidines Aryl chlorides Benzenoids Thiazoles Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds N-acylimines Isothioureas Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 1,3-benzothiazole - N-acylpyrrolidine - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Pyrrolidine - Methyl ester - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Carboxylic acid ester - Isothiourea - N-acylimine - Thioether - Sulfenyl compound - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organosulfur compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - 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