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 ABSOLUTE
Molecular Formula C12H15NO5S3
Molecular Weight 349.446
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-81054

SMILES

C[C@@H](O)[C@@H]1[C@H]2SC(S[C@@H]3CC[S@+]([O-])C3)=C(N2C1=O)C(O)=O

InChI

InChIKey=FLSUCZWOEMTFAQ-PKHVTOCSSA-N
InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,10-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H15NO5S3
Molecular Weight 349.446
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:39:32 GMT 2025
Edited
by admin
on Wed Apr 02 07:39:32 GMT 2025
Record UNII
R27UVM94J7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-81054
Common Name English
CP 81054
Preferred Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 6-((1R)-1-HYDROXYETHYL)-7-OXO-3-(((1S,3R)-TETRAHYDRO-1-OXIDO-3-THIENYL)THIO)-, (5R,6S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9928329
Created by admin on Wed Apr 02 07:39:32 GMT 2025 , Edited by admin on Wed Apr 02 07:39:32 GMT 2025
PRIMARY
CAS
128443-48-1
Created by admin on Wed Apr 02 07:39:32 GMT 2025 , Edited by admin on Wed Apr 02 07:39:32 GMT 2025
PRIMARY
FDA UNII
R27UVM94J7
Created by admin on Wed Apr 02 07:39:32 GMT 2025 , Edited by admin on Wed Apr 02 07:39:32 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT