
 CHEMBL349175

 96 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL349175

>  <PubChem CID>
13755662

>  <Formula>
C32H52N6O6

>  <Molecular Weight>
616.804000

>  <IUPAC Name>
2-[4-[[2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]anilino]-2-oxoethyl]amino]butylamino]-N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CNCCCCNCC(=O)NC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)CNCCCCNCC(=O)NC2=CC=C(C=C2)OCC(CNC(C)C)O)O

>  <InChI Std. ID>
InChI=1S/C32H52N6O6/c1-23(2)35-17-27(39)21-43-29-11-7-25(8-12-29)37-31(41)19-33-15-5-6-16-34-20-32(42)38-26-9-13-30(14-10-26)44-22-28(40)18-36-24(3)4/h7-14,23-24,27-28,33-36,39-40H,5-6,15-22H2,1-4H3,(H,37,41)(H,38,42)

>  <InChI Key>
FPFNFGRRHPTRLC-UHFFFAOYSA-N

