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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H20N4O5S2
Molecular Weight 436.505
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-5068

SMILES

CSC1=C2SC(=C[N+]2=CN1CC(N)=O)C3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C([O-])=O

InChI

InChIKey=VSVRJBUXAZABAX-XDPNNTCOSA-N
InChI=1S/C18H20N4O5S2/c1-7-11(14(18(26)27)22-13(7)12(8(2)23)15(22)25)9-4-20-6-21(5-10(19)24)16(28-3)17(20)29-9/h4,6-8,12-13,23H,5H2,1-3H3,(H2-,19,24,26,27)/t7-,8+,12+,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H20N4O5S2
Molecular Weight 436.505
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:59:45 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:45 GMT 2025
Record UNII
0UZY88DX6N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CP-5068
Common Name English
IMIDAZO(5,1-B)THIAZOLIUM, 6-(2-AMINO-2-OXOETHYL)-2-((4S,5R,6S)-2-CARBOXY-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)-7-(METHYLTHIO)-, INNER SALT
Preferred Name English
Code System Code Type Description
FDA UNII
0UZY88DX6N
Created by admin on Mon Mar 31 21:59:45 GMT 2025 , Edited by admin on Mon Mar 31 21:59:45 GMT 2025
PRIMARY
PUBCHEM
9803074
Created by admin on Mon Mar 31 21:59:45 GMT 2025 , Edited by admin on Mon Mar 31 21:59:45 GMT 2025
PRIMARY
CAS
352305-79-4
Created by admin on Mon Mar 31 21:59:45 GMT 2025 , Edited by admin on Mon Mar 31 21:59:45 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY