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237239  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50441960

>  <PubChem CID>
91898569

>  <Formula>
C73H119N27O18

>  <Molecular Weight>
1662.926000

>  <IUPAC Name>


>  <XlogP>
-6.6

>  <Hydrogen Bond Donors>
26

>  <Hydrogen Bond Acceptors>
22

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC1CCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C73H119N27O18/c1-7-36(4)56(99-67(116)51(32-40-18-22-42(104)23-19-40)96-63(112)47(14-10-28-87-72(81)82)92-60(109)45(89-38(6)102)12-8-26-85-70(77)78)68(117)98-53(34-55(75)106)65(114)97-52(33-54(74)105)64(113)95-50(30-35(2)3)66(115)100-57(37(5)101)69(118)93-48(15-11-29-88-73(83)84)61(110)90-44-25-24-43(44)59(108)91-46(13-9-27-86-71(79)80)62(111)94-49(58(76)107)31-39-16-20-41(103)21-17-39/h16-23,35-37,43-53,56-57,101,103-104H,7-15,24-34H2,1-6H3,(H2,74,105)(H2,75,106)(H2,76,107)(H,89,102)(H,90,110)(H,91,108)(H,92,109)(H,93,118)(H,94,111)(H,95,113)(H,96,112)(H,97,114)(H,98,117)(H,99,116)(H,100,115)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t36-,37+,43+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1

>  <InChI Key>
HLMWFNBOZLAPKN-MSYCJHJPSA-N

