
 BDBM50327888

421424  0  0  0  0  0  0  0  0999 V2000
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213421  1  0  0  0
M  END

>  <Chemical Name>
BDBM50327888

>  <PubChem CID>
91933419

>  <Formula>
C129H208N42O40S2

>  <Molecular Weight>
3051.457000

>  <IUPAC Name>


>  <XlogP>
-14.2

>  <Hydrogen Bond Donors>
46

>  <Hydrogen Bond Acceptors>
47

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(C(C)C)C(=O)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CSSCC(C(=O)NC(C(=O)N2)CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC4=CN=CN4)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC2=O)CO)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CN=CN4)N)O

>  <InChI Std. ID>
InChI=1S/C129H208N42O40S2/c1-59(2)39-78(119(204)171-100(64(11)12)102(134)187)149-96(181)50-145-105(190)75(30-33-93(131)178)153-112(197)81(42-62(7)8)159-115(200)82(43-63(9)10)158-108(193)73(24-19-37-143-128(137)138)151-110(195)76(31-34-94(132)179)154-113(198)79(40-60(3)4)156-107(192)72(23-18-36-142-127(135)136)150-103(188)65(13)148-120(205)87(52-172)165-118(203)86(48-99(185)186)162-111(196)77(32-35-95(133)180)155-114(199)80(41-61(5)6)157-109(194)74(25-20-38-144-129(139)140)152-121(206)89(54-174)166-116(201)83(45-68-26-28-70(177)29-27-68)160-124(209)91-56-212-213-57-92(125(210)167-90(55-175)123(208)169-91)168-117(202)84(44-67-21-16-15-17-22-67)163-126(211)101(66(14)176)170-97(182)51-146-106(191)85(47-98(183)184)161-122(207)88(53-173)164-104(189)71(130)46-69-49-141-58-147-69/h15-17,21-22,26-29,49,58-66,71-92,100-101,172-177H,18-20,23-25,30-48,50-57,130H2,1-14H3,(H2,131,178)(H2,132,179)(H2,133,180)(H2,134,187)(H,141,147)(H,145,190)(H,146,191)(H,148,205)(H,149,181)(H,150,188)(H,151,195)(H,152,206)(H,153,197)(H,154,198)(H,155,199)(H,156,192)(H,157,194)(H,158,193)(H,159,200)(H,160,209)(H,161,207)(H,162,196)(H,163,211)(H,164,189)(H,165,203)(H,166,201)(H,167,210)(H,168,202)(H,169,208)(H,170,182)(H,171,204)(H,183,184)(H,185,186)(H4,135,136,142)(H4,137,138,143)(H4,139,140,144)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,100-,101-/m0/s1

>  <InChI Key>
HZIIFOFEPLDDNI-GDBVFDKBSA-N

