
 CHEMBL183143

100101  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL183143

>  <PubChem CID>
44392792

>  <Formula>
C35H55N2O7P

>  <Molecular Weight>
646.806000

>  <IUPAC Name>
[(2R)-3-[4-[(4-ethoxypyridin-2-yl)methoxy]phenyl]-2-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate

>  <XlogP>
8.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=NC=CC(=C2)OCC)COP(=O)(O)O

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CC1=CC=C(C=C1)OCC2=NC=CC(=C2)OCC)COP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C35H55N2O7P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-35(38)37-32(29-44-45(39,40)41)26-30-20-22-33(23-21-30)43-28-31-27-34(42-4-2)24-25-36-31/h11-12,20-25,27,32H,3-10,13-19,26,28-29H2,1-2H3,(H,37,38)(H2,39,40,41)/b12-11-/t32-/m1/s1

>  <InChI Key>
HVANCKKENVXQOH-KTLPGOAZSA-N

