
 CHEMBL3797365

 70 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3797365

>  <PubChem CID>
44217997

>  <Formula>
C26H34N4O6

>  <Molecular Weight>
498.580000

>  <IUPAC Name>
N-[(2S)-3-[2-ethyl-4-[5-[4-methoxy-6-(2-methylpropyl)pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=NC(=CC(=C3)OC)CC(C)C

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1OC[C@H](CNC(=O)CO)O)C)C2=NOC(=N2)C3=NC(=CC(=C3)OC)CC(C)C

>  <InChI Std. ID>
InChI=1S/C26H34N4O6/c1-6-17-9-18(8-16(4)24(17)35-14-20(32)12-27-23(33)13-31)25-29-26(36-30-25)22-11-21(34-5)10-19(28-22)7-15(2)3/h8-11,15,20,31-32H,6-7,12-14H2,1-5H3,(H,27,33)/t20-/m0/s1

>  <InChI Key>
AFNUABBHQNAIDY-FQEVSTJZSA-N

