
 BDBM50398386

384386  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50398386

>  <PubChem CID>
91928511

>  <Formula>
C121H194N32O37

>  <Molecular Weight>
2689.070000

>  <IUPAC Name>


>  <XlogP>
-9.9

>  <Hydrogen Bond Donors>
38

>  <Hydrogen Bond Acceptors>
40

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC(=O)N)NC(=O)C(C(C)CC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)N

>  <InChI Std. ID>
InChI=1S/C121H194N32O37/c1-20-57(11)91(113(182)136-73(38-39-84(124)157)103(172)152-95(63(17)154)117(186)135-71(36-29-30-40-122)102(171)147-94(60(14)23-4)116(185)153-96(64(18)155)118(187)146-83(120(189)190)52-90(165)166)148-111(180)76(44-56(9)10)138-106(175)78(46-67-53-131-70-35-28-27-34-68(67)70)140-108(177)80(49-87(127)160)145-114(183)92(58(12)21-2)149-112(181)77(45-66-32-25-24-26-33-66)139-109(178)81(50-88(161)162)142-101(170)72(37-31-41-130-121(128)129)134-99(168)62(16)132-98(167)61(15)133-104(173)74(42-54(5)6)137-107(176)79(48-86(126)159)141-110(179)82(51-89(163)164)143-105(174)75(43-55(7)8)144-115(184)93(59(13)22-3)150-119(188)97(65(19)156)151-100(169)69(123)47-85(125)158/h24-28,32-35,53-65,69,71-83,91-97,131,154-156H,20-23,29-31,36-52,122-123H2,1-19H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,132,167)(H,133,173)(H,134,168)(H,135,186)(H,136,182)(H,137,176)(H,138,175)(H,139,178)(H,140,177)(H,141,179)(H,142,170)(H,143,174)(H,144,184)(H,145,183)(H,146,187)(H,147,171)(H,148,180)(H,149,181)(H,150,188)(H,151,169)(H,152,172)(H,153,185)(H,161,162)(H,163,164)(H,165,166)(H,189,190)(H4,128,129,130)/t57-,58-,59-,60-,61-,62-,63+,64+,65+,69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,91-,92-,93-,94-,95-,96-,97-/m0/s1

>  <InChI Key>
QHVWMZIJTXDVMP-ACVSCHTLSA-N

