U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry MIXED
Molecular Formula C24H28N2O6S2
Molecular Weight 504.619
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIORPHAN DISULFIDE

SMILES

OC(=O)CNC(=O)C(CSSCC(CC1=CC=CC=C1)C(=O)NCC(O)=O)CC2=CC=CC=C2

InChI

InChIKey=QGHBJQCOYUZBCX-UHFFFAOYSA-N
InChI=1S/C24H28N2O6S2/c27-21(28)13-25-23(31)19(11-17-7-3-1-4-8-17)15-33-34-16-20(24(32)26-14-22(29)30)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,25,31)(H,26,32)(H,27,28)(H,29,30)

HIDE SMILES / InChI

Molecular Formula C24H28N2O6S2
Molecular Weight 504.619
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HR9WVE18MH
Record Status Validated (UNII)
Record Version