
 BDBM81895

104109  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM81895

>  <PubChem CID>
91898393

>  <Formula>
C40H50N8O6

>  <Molecular Weight>
738.890000

>  <IUPAC Name>


>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC(C)C1C(=O)N2C(CCC=N2)C(=O)N3C(CCC=N3)C(=O)N(C(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC5=CC=CC=C5)CC6=CC=CC=C6)C

>  <Isomeric SMILES>
CCC(C)C1C(=O)N2[C@H](CCC=N2)C(=O)N3[C@@H](CCC=N3)C(=O)N([C@H](C(=O)N4CCC[C@@H]4C(=O)N[C@H](C(=O)N1)CC5=CC=CC=C5)CC6=CC=CC=C6)C

>  <InChI Std. ID>
InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1

>  <InChI Key>
IFHSSGUGRIXWQU-HGWQXCOYSA-N

