
 BDBM81889

117122  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM81889

>  <PubChem CID>
91898391

>  <Formula>
C43H59N9O6

>  <Molecular Weight>
798.002000

>  <IUPAC Name>


>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC(C)C1C(=O)N2C(CCC=N2)C(=O)N3C(CC(CN3)CN(C)C)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](CC(CN3)CN(C)C)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/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1

>  <InChI Key>
IUFVFMBGWPJZJQ-PBIKBHKTSA-N

