
 BDBM85205

236240  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM85205

>  <PubChem CID>
57340022

>  <Formula>
C78H117N21O20

>  <Molecular Weight>
1668.921000

>  <IUPAC Name>


>  <XlogP>
-1.3

>  <Hydrogen Bond Donors>
22

>  <Hydrogen Bond Acceptors>
22

>  <Canonical SMILES>
CCC(C)C(C(=O)N)NC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CN

>  <Isomeric SMILES>
CCC(C)C(C(=O)N)NC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CN

>  <InChI Std. ID>
InChI=1S/C78H117N21O20/c1-12-41(8)64(66(81)107)97-68(109)43(10)88-70(111)56(29-47-33-82-37-86-47)94-77(118)59-18-15-23-99(59)63(106)35-85-69(110)51(24-38(2)3)91-71(112)52(25-39(4)5)92-73(114)54(27-45-19-21-48(102)22-20-45)90-62(105)34-84-67(108)42(9)87-76(117)58(36-100)96-74(115)57(30-60(80)103)93-72(113)53(26-40(6)7)95-78(119)65(44(11)101)98-75(116)55(89-61(104)31-79)28-46-32-83-50-17-14-13-16-49(46)50/h13-14,16-17,19-22,32-33,37-44,51-59,64-65,83,100-102H,12,15,18,23-31,34-36,79H2,1-11H3,(H2,80,103)(H2,81,107)(H,82,86)(H,84,108)(H,85,110)(H,87,117)(H,88,111)(H,89,104)(H,90,105)(H,91,112)(H,92,114)(H,93,113)(H,94,118)(H,95,119)(H,96,115)(H,97,109)(H,98,116)

>  <InChI Key>
XDVMOMDJVPMMLK-UHFFFAOYSA-N

