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267278  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50289649

>  <PubChem CID>
77282233

>  <Formula>
C103H117N23O24

>  <Molecular Weight>
2061.206000

>  <IUPAC Name>


>  <XlogP>
-1.3

>  <Hydrogen Bond Donors>
26

>  <Hydrogen Bond Acceptors>
26

>  <Canonical SMILES>
CC(C(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(CC8=CNC9=CC=CC=C98)C(=O)O)NC(=O)CNC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)N)NC(=O)CN)O

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)O)NC(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)CN)O

>  <InChI Std. ID>
InChI=1S/C103H117N23O24/c1-54(113-101(147)89(55(2)127)125-87(133)52-111-90(136)78(43-63-51-107-53-112-63)121-96(142)77(41-61-49-109-70-24-13-10-21-67(61)70)119-97(143)79(44-84(105)130)114-86(132)47-104)102(148)126-35-15-26-83(126)100(146)123-81(46-88(134)135)99(145)120-76(40-60-48-108-69-23-12-9-20-66(60)69)95(141)117-72(36-56-16-5-3-6-17-56)91(137)115-73(37-57-18-7-4-8-19-57)93(139)122-80(45-85(106)131)98(144)118-74(38-58-27-31-64(128)32-28-58)92(138)116-75(39-59-29-33-65(129)34-30-59)94(140)124-82(103(149)150)42-62-50-110-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,48-51,53-55,72-83,89,108-110,127-129H,15,26,35-47,52,104H2,1-2H3,(H2,105,130)(H2,106,131)(H,107,112)(H,111,136)(H,113,147)(H,114,132)(H,115,137)(H,116,138)(H,117,141)(H,118,144)(H,119,143)(H,120,145)(H,121,142)(H,122,139)(H,123,146)(H,124,140)(H,125,133)(H,134,135)(H,149,150)/t54-,55+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1

>  <InChI Key>
ZUENRBCVCNXGQC-RYIFUXPHSA-N

