
 CHEMBL41189

 81 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL41189

>  <PubChem CID>
13208878

>  <Formula>
C28H44N2O7

>  <Molecular Weight>
520.667000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC=C1OCCOCCOC2=CC=CC=C2OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NC[C@@H](COC1=CC=CC=C1OCCOCCOC2=CC=CC=C2OC[C@H](CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C28H44N2O7/c1-21(2)29-17-23(31)19-36-27-11-7-5-9-25(27)34-15-13-33-14-16-35-26-10-6-8-12-28(26)37-20-24(32)18-30-22(3)4/h5-12,21-24,29-32H,13-20H2,1-4H3/t23-,24-/m0/s1

>  <InChI Key>
BALOCXKMXYPXEC-ZEQRLZLVSA-N

