
 SCHEMBL17418785

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418785

>  <PubChem CID>
118645565

>  <Formula>
C31H35FN2O5

>  <Molecular Weight>
534.628000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[6-[(3,3-dimethylcyclobutyl)methoxy]-5-(2-fluoro-5-methoxyphenyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(CC(C1)COC2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)C

>  <Isomeric SMILES>
CC1(CC(C1)COC2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5)C

>  <InChI Std. ID>
InChI=1S/C31H35FN2O5/c1-31(2)14-19(15-31)17-39-30-29(26-12-23(37-3)9-10-27(26)32)33-16-22(34-30)18-38-24-6-4-5-21(11-24)25(13-28(35)36)20-7-8-20/h4-6,9-12,16,19-20,25H,7-8,13-15,17-18H2,1-3H3,(H,35,36)/t25-/m0/s1

>  <InChI Key>
MAWNYSVJWWGRIH-VWLOTQADSA-N

