
 CHEMBL41607

 95 96  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL41607

>  <PubChem CID>
13208920

>  <Formula>
C32H52N2O9

>  <Molecular Weight>
608.773000

>  <IUPAC Name>
(2S)-1-[4-[2-[2-[2-[2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)OCCOCCOCCOCCOC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NC[C@@H](COC1=CC=C(C=C1)OCCOCCOCCOCCOC2=CC=C(C=C2)OC[C@H](CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C32H52N2O9/c1-25(2)33-21-27(35)23-42-31-9-5-29(6-10-31)40-19-17-38-15-13-37-14-16-39-18-20-41-30-7-11-32(12-8-30)43-24-28(36)22-34-26(3)4/h5-12,25-28,33-36H,13-24H2,1-4H3/t27-,28-/m0/s1

>  <InChI Key>
GHNPQERUXIFVLF-NSOVKSMOSA-N

