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Details

Stereochemistry EPIMERIC
Molecular Formula C25H27F4N3O4S
Molecular Weight 541.558
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)PENTANAMIDE

SMILES

CC(F)(CO)C[C@H](N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(C)(=O)=O)C(F)(F)F)C(=O)NC3(CC3)C#N

InChI

InChIKey=JCZDLZKSPMKOPS-MMBKUXRPSA-N
InChI=1S/C25H27F4N3O4S/c1-23(26,15-33)13-20(22(34)32-24(14-30)11-12-24)31-21(25(27,28)29)18-5-3-16(4-6-18)17-7-9-19(10-8-17)37(2,35)36/h3-10,20-21,31,33H,11-13,15H2,1-2H3,(H,32,34)/t20-,21-,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H27F4N3O4S
Molecular Weight 541.558
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:21:08 UTC 2023
Edited
by admin
on Fri Jul 07 00:21:08 UTC 2023
Record UNII
26LLW37JEH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)PENTANAMIDE
Systematic Name English
PENTANAMIDE, N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)-, (2S)-
Systematic Name English
ODANACATIB METABOLITE M8
Common Name English
Code System Code Type Description
FDA UNII
26LLW37JEH
Created by admin on Fri Jul 07 00:21:09 UTC 2023 , Edited by admin on Fri Jul 07 00:21:09 UTC 2023
PRIMARY
PUBCHEM
156596462
Created by admin on Fri Jul 07 00:21:09 UTC 2023 , Edited by admin on Fri Jul 07 00:21:09 UTC 2023
PRIMARY
CAS
1356006-28-4
Created by admin on Fri Jul 07 00:21:09 UTC 2023 , Edited by admin on Fri Jul 07 00:21:09 UTC 2023
PRIMARY
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