
 SCHEMBL671511

 81 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL671511

>  <PubChem CID>
56649302

>  <Formula>
C29H38F4N4O5S

>  <Molecular Weight>
630.700000

>  <IUPAC Name>
N-(4-cyclohexylbutyl)-2-[(2S)-1-[[5-fluoro-2-[3-oxo-3-(trifluoromethylsulfonylamino)propyl]phenyl]methyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)C3CCCN3CC4=C(C=CC(=C4)F)CCC(=O)NS(=O)(=O)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(CC1)CCCCNC(=O)C2=COC(=N2)[C@@H]3CCCN3CC4=C(C=CC(=C4)F)CCC(=O)NS(=O)(=O)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H38F4N4O5S/c30-23-13-11-21(12-14-26(38)36-43(40,41)29(31,32)33)22(17-23)18-37-16-6-10-25(37)28-35-24(19-42-28)27(39)34-15-5-4-9-20-7-2-1-3-8-20/h11,13,17,19-20,25H,1-10,12,14-16,18H2,(H,34,39)(H,36,38)/t25-/m0/s1

>  <InChI Key>
BJUUQOLZOPQZKM-VWLOTQADSA-N

