
 BDBM86051

470472  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM86051

>  <PubChem CID>
91899076

>  <Formula>
C144H244N44O38

>  <Molecular Weight>
3199.806000

>  <IUPAC Name>


>  <XlogP>
-11.8

>  <Hydrogen Bond Donors>
47

>  <Hydrogen Bond Acceptors>
46

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CN3)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)N

>  <InChI Std. ID>
InChI=1S/C144H244N44O38/c1-20-78(16)113(140(225)173-95(115(151)200)56-71(2)3)187-134(219)103(65-110(198)199)178-124(209)93(46-48-107(149)194)171-128(213)96(57-72(4)5)176-130(215)97(58-73(6)7)174-122(207)88(37-25-29-51-146)166-120(205)91(40-32-54-160-143(154)155)165-116(201)79(17)164-135(220)104(67-189)184-131(216)98(59-74(8)9)175-123(208)89(39-27-31-53-159-142(152)153)167-119(204)87(36-24-28-50-145)169-129(214)99(60-75(10)11)180-139(224)112(77(14)15)186-126(211)90(38-26-30-52-147)168-121(206)92(41-33-55-161-144(156)157)170-132(217)100(62-83-42-44-85(193)45-43-83)177-137(222)106(69-191)183-125(210)94(47-49-108(150)195)172-141(226)114(81(19)192)188-133(218)101(61-82-34-22-21-23-35-82)181-138(223)111(76(12)13)185-117(202)80(18)163-127(212)102(64-109(196)197)179-136(221)105(68-190)182-118(203)86(148)63-84-66-158-70-162-84/h21-23,34-35,42-45,66,70-81,86-106,111-114,189-193H,20,24-33,36-41,46-65,67-69,145-148H2,1-19H3,(H2,149,194)(H2,150,195)(H2,151,200)(H,158,162)(H,163,212)(H,164,220)(H,165,201)(H,166,205)(H,167,204)(H,168,206)(H,169,214)(H,170,217)(H,171,213)(H,172,226)(H,173,225)(H,174,207)(H,175,208)(H,176,215)(H,177,222)(H,178,209)(H,179,221)(H,180,224)(H,181,223)(H,182,203)(H,183,210)(H,184,216)(H,185,202)(H,186,211)(H,187,219)(H,188,218)(H,196,197)(H,198,199)(H4,152,153,159)(H4,154,155,160)(H4,156,157,161)/t78-,79-,80-,81+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,111-,112-,113-,114-/m0/s1

>  <InChI Key>
GZXPSICRXGKKKB-IJXNSXOSSA-N

