
 SCHEMBL17418721

 81 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418721

>  <PubChem CID>
118645505

>  <Formula>
C33H39FN2O6

>  <Molecular Weight>
578.681000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(2,2,6,6-tetramethyloxan-4-yl)oxypyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1(CC(CC(O1)(C)C)OC2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)C

>  <Isomeric SMILES>
CC1(CC(CC(O1)(C)C)OC2=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/C33H39FN2O6/c1-32(2)16-25(17-33(3,4)42-32)41-31-30(27-14-23(39-5)11-12-28(27)34)35-18-22(36-31)19-40-24-8-6-7-21(13-24)26(15-29(37)38)20-9-10-20/h6-8,11-14,18,20,25-26H,9-10,15-17,19H2,1-5H3,(H,37,38)/t26-/m0/s1

>  <InChI Key>
MRBDSBIVJCROCF-SANMLTNESA-N

