
 CHEMBL3797486

 73 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3797486

>  <PubChem CID>
127046400

>  <Formula>
C27H36N4O6

>  <Molecular Weight>
512.607000

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

>  <XlogP>
4.1

>  <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)C(CC)CC)OC

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

>  <InChI Std. ID>
InChI=1S/C27H36N4O6/c1-6-17(7-2)19-11-22(29-24(12-19)35-5)27-30-26(31-37-27)20-9-16(4)25(18(8-3)10-20)36-15-21(33)13-28-23(34)14-32/h9-12,17,21,32-33H,6-8,13-15H2,1-5H3,(H,28,34)/t21-/m0/s1

>  <InChI Key>
AIXCEJHOVYYGTB-NRFANRHFSA-N

