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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