U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20N2O3S
Molecular Weight 308.396
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Propan-2-yl 3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoate

SMILES

CC(C)OC(=O)C1=CC(NC(=O)[C@@H]2C[C@H](S)CN2)=CC=C1

InChI

InChIKey=LVZYJTDEBGYJQA-STQMWFEESA-N
InChI=1S/C15H20N2O3S/c1-9(2)20-15(19)10-4-3-5-11(6-10)17-14(18)13-7-12(21)8-16-13/h3-6,9,12-13,16,21H,7-8H2,1-2H3,(H,17,18)/t12-,13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20N2O3S
Molecular Weight 308.396
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:54:47 GMT 2025
Edited
by admin
on Wed Apr 02 18:54:47 GMT 2025
Record UNII
CF6NF32TPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isopropyl 3-((2S,4S)-4-mercaptopyrrolidine-2-carboxamido)benzoate
Preferred Name English
Propan-2-yl 3-[[(2S,4S)-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoate
Systematic Name English
Code System Code Type Description
FDA UNII
CF6NF32TPM
Created by admin on Wed Apr 02 18:54:47 GMT 2025 , Edited by admin on Wed Apr 02 18:54:47 GMT 2025
PRIMARY
PUBCHEM
168446724
Created by admin on Wed Apr 02 18:54:47 GMT 2025 , Edited by admin on Wed Apr 02 18:54:47 GMT 2025
PRIMARY