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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H33NO4S2Si
Molecular Weight 443.696
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Allyl (5R,6S)-6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

SMILES

CCCSC1=C(N2[C@H](S1)[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C2=O)C(=O)OCC=C

InChI

InChIKey=JFTTZXLBJMJLJT-JKIFEVAISA-N
InChI=1S/C20H33NO4S2Si/c1-9-11-24-18(23)15-19(26-12-10-2)27-17-14(16(22)21(15)17)13(3)25-28(7,8)20(4,5)6/h9,13-14,17H,1,10-12H2,2-8H3/t13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H33NO4S2Si
Molecular Weight 443.696
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:21:39 GMT 2025
Edited
by admin
on Wed Apr 02 19:21:39 GMT 2025
Record UNII
AE4P3J523D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Allyl (5R,6S)-6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-(propylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Systematic Name English
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-(propylthio)-, 2-propenyl ester, [5R-[5?,6?(R*)]]-
Preferred Name English
Code System Code Type Description
PUBCHEM
71473311
Created by admin on Wed Apr 02 19:21:39 GMT 2025 , Edited by admin on Wed Apr 02 19:21:39 GMT 2025
PRIMARY
CAS
93603-76-0
Created by admin on Wed Apr 02 19:21:39 GMT 2025 , Edited by admin on Wed Apr 02 19:21:39 GMT 2025
PRIMARY
FDA UNII
AE4P3J523D
Created by admin on Wed Apr 02 19:21:39 GMT 2025 , Edited by admin on Wed Apr 02 19:21:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID101099382
Created by admin on Wed Apr 02 19:21:39 GMT 2025 , Edited by admin on Wed Apr 02 19:21:39 GMT 2025
PRIMARY
Related Record Type Details
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