
 BDBM50289650

323334  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50289650

>  <PubChem CID>
91934520

>  <Formula>
C117H150N28O28

>  <Molecular Weight>
2396.655000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
30

>  <Hydrogen Bond Acceptors>
30

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C8CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N9CCCC9C(=O)N8)C)C(C)O)CC1=CN=CN1)CC1=CNC2=CC=CC=C21)CC(=O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H]8CC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N9CCC[C@@H]9C(=O)N8)C)[C@@H](C)O)CC1=CN=CN1)CC1=CNC2=CC=CC=C21)CC(=O)N

>  <InChI Std. ID>
InChI=1S/C117H150N28O28/c1-12-59(7)97(113(168)140-89(117(172)173)42-68-50-123-78-26-19-16-23-75(68)78)144-114(169)98(60(8)13-2)143-110(165)88(47-95(153)154)137-103(158)79(37-57(3)4)132-106(161)85(44-70-52-120-56-127-70)131-100(155)61(9)128-102(157)80(38-64-28-32-71(147)33-29-64)133-104(159)81(39-65-30-34-72(148)35-31-65)139-112(167)96(58(5)6)142-109(164)83(41-67-49-122-77-25-18-15-22-74(67)77)135-108(163)87-46-92(150)124-53-93(151)130-86(45-91(118)149)107(162)134-82(40-66-48-121-76-24-17-14-21-73(66)76)105(160)136-84(43-69-51-119-55-126-69)101(156)125-54-94(152)141-99(63(11)146)115(170)129-62(10)116(171)145-36-20-27-90(145)111(166)138-87/h14-19,21-26,28-35,48-52,55-63,79-90,96-99,121-123,146-148H,12-13,20,27,36-47,53-54H2,1-11H3,(H2,118,149)(H,119,126)(H,120,127)(H,124,150)(H,125,156)(H,128,157)(H,129,170)(H,130,151)(H,131,155)(H,132,161)(H,133,159)(H,134,162)(H,135,163)(H,136,160)(H,137,158)(H,138,166)(H,139,167)(H,140,168)(H,141,152)(H,142,164)(H,143,165)(H,144,169)(H,153,154)(H,172,173)/t59-,60-,61-,62-,63+,79-,80-,81-,82-,83-,84+,85-,86+,87+,88-,89-,90+,96-,97-,98-,99+/m0/s1

>  <InChI Key>
RTHOETHGYZVSOV-ADRWOKQDSA-N

