Details
Stereochemistry | EPIMERIC |
Molecular Formula | C17H20N3O5S.Na |
Molecular Weight | 401.413 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(NCO)C3=CC=CC=C3)C([O-])=O
InChI
InChIKey=WTSRNWBFDVDFFA-YABFLDBQSA-M
InChI=1S/C17H21N3O5S.Na/c1-17(2)12(16(24)25)20-14(23)11(15(20)26-17)19-13(22)10(18-8-21)9-6-4-3-5-7-9;/h3-7,10-12,15,18,21H,8H2,1-2H3,(H,19,22)(H,24,25);/q;+1/p-1/t10?,11-,12+,15-;/m1./s1
Approval Year
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137321707
Created by
admin on Fri Dec 15 15:01:50 GMT 2023 , Edited by admin on Fri Dec 15 15:01:50 GMT 2023
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LIF962A7JZ
Created by
admin on Fri Dec 15 15:01:50 GMT 2023 , Edited by admin on Fri Dec 15 15:01:50 GMT 2023
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22199-87-7
Created by
admin on Fri Dec 15 15:01:50 GMT 2023 , Edited by admin on Fri Dec 15 15:01:50 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD