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Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO4S
Molecular Weight 245.295
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-Acetamidoethylsulfanylcarbonyl)pent-4-enoic acid

SMILES

CC(=O)NCCSC(=O)C(CC=C)C(O)=O

InChI

InChIKey=RZPYMBXFOMWBNA-UHFFFAOYSA-N
InChI=1S/C10H15NO4S/c1-3-4-8(9(13)14)10(15)16-6-5-11-7(2)12/h3,8H,1,4-6H2,2H3,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Tacrolimus Impurity 14
Preferred Name English
2-(2-Acetamidoethylsulfanylcarbonyl)pent-4-enoic acid
Systematic Name English
2-[[[2-(Acetylamino)ethyl]thio]carbonyl]-4-pentenoic acid
Systematic Name English
4-Pentenoic acid, 2-[[[2-(acetylamino)ethyl]thio]carbonyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
89791824
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY
FDA UNII
J2LT8XPX8Y
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY
CAS
1260758-24-4
Created by admin on Wed Apr 02 17:21:28 GMT 2025 , Edited by admin on Wed Apr 02 17:21:28 GMT 2025
PRIMARY
NIH
NCATS
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