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207214  0  0  0  0  0  0  0  0999 V2000
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 96192  1  0  0  0
 97 98  2  0  0  0
 97193  1  0  0  0
 98 99  1  0  0  0
 98194  1  0  0  0
 99100  2  0  0  0
 99195  1  0  0  0
100101  1  0  0  0
101102  2  0  0  0
101196  1  0  0  0
102197  1  0  0  0
103104  1  0  0  0
103198  1  0  0  0
103199  1  0  0  0
104105  1  0  0  0
104200  1  0  0  0
104201  1  0  0  0
105106  1  0  0  0
105202  1  0  0  0
105203  1  0  0  0
106107  2  0  0  0
107109  1  0  0  0
107108  1  0  0  0
108204  1  0  0  0
108205  1  0  0  0
109206  1  0  0  0
109207  1  0  0  0
M  END

>  <Chemical Name>
BDBM50363969

>  <PubChem CID>
91930549

>  <Formula>
C77H98N18O14

>  <Molecular Weight>
1499.743000

>  <IUPAC Name>


>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
16

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CN1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)CCCC(=O)NCCCC5C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCN=C(N)N

>  <Isomeric SMILES>
CN1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1=O)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CCCNC(=O)CCCC(=O)NCCC[C@@H]5C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N5C)CC6=CC=C(C=C6)O)CC7=CC8=CC=CC=C8C=C7)CCCN=C(N)N

>  <InChI Std. ID>
InChI=1S/C77H98N18O14/c1-94-62(72(106)90-56(16-8-36-84-76(78)79)70(104)92-58(42-48-22-28-50-12-3-5-14-52(50)38-48)68(102)86-44-66(100)88-60(74(94)108)40-46-24-30-54(96)31-25-46)18-10-34-82-64(98)20-7-21-65(99)83-35-11-19-63-73(107)91-57(17-9-37-85-77(80)81)71(105)93-59(43-49-23-29-51-13-4-6-15-53(51)39-49)69(103)87-45-67(101)89-61(75(109)95(63)2)41-47-26-32-55(97)33-27-47/h3-6,12-15,22-33,38-39,56-63,96-97H,7-11,16-21,34-37,40-45H2,1-2H3,(H,82,98)(H,83,99)(H,86,102)(H,87,103)(H,88,100)(H,89,101)(H,90,106)(H,91,107)(H,92,104)(H,93,105)(H4,78,79,84)(H4,80,81,85)/t56-,57-,58-,59-,60+,61+,62+,63+/m0/s1

>  <InChI Key>
ATUUWCUJPAPSBQ-NHQJELGKSA-N

