
 BDBM85678

579588  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1 108   1
M  END

>  <Chemical Name>
BDBM85678

>  <PubChem CID>
91898981

>  <Formula>
C186H281N56O56+

>  <Molecular Weight>
4197.630000

>  <IUPAC Name>


>  <XlogP>
-17.9

>  <Hydrogen Bond Donors>
59

>  <Hydrogen Bond Acceptors>
62

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)N(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C9CCCN9C(=O)C(CC1=CC=C(C=C1)O)N

>  <Isomeric SMILES>
CCC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)N(CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]9CCCN9C(=O)C(CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C186H280N56O56/c1-16-93(8)146(175(292)230-126(79-138(190)251)165(282)222-121(72-91(4)5)160(277)210-97(12)151(268)236-186(14,15)180(297)234-114(31-22-66-205-184(199)200)155(272)218-116(56-59-137(189)250)157(274)216-112(29-20-64-203-182(195)196)152(269)220-119(147(192)264)75-100-38-48-106(246)49-39-100)235-185(298)242(86-103-44-54-109(249)55-45-103)237-170(287)125(78-104-84-201-89-207-104)226-154(271)113(30-21-65-204-183(197)198)217-162(279)122(73-92(6)7)221-150(267)95(10)209-168(285)131(87-243)232-164(281)124(77-102-42-52-108(248)53-43-102)225-163(280)123(76-101-40-50-107(247)51-41-101)224-153(270)111(28-19-63-202-181(193)194)214-148(265)94(9)208-159(276)120(71-90(2)3)223-166(283)128(82-144(260)261)228-158(275)117(58-61-142(256)257)215-149(266)96(11)211-172(289)134-33-24-67-238(134)176(293)98(13)212-161(278)127(81-143(258)259)227-156(273)115(57-60-141(254)255)213-140(253)85-206-171(288)133-32-23-69-240(133)179(296)130(80-139(191)252)231-167(284)129(83-145(262)263)229-173(290)136-35-26-70-241(136)178(295)118(27-17-18-62-187)219-169(286)132(88-244)233-174(291)135-34-25-68-239(135)177(294)110(188)74-99-36-46-105(245)47-37-99/h36-55,84,89-98,110-136,146,243-249H,16-35,56-83,85-88,187-188H2,1-15H3,(H2,189,250)(H2,190,251)(H2,191,252)(H2,192,264)(H,201,207)(H,206,288)(H,208,276)(H,209,285)(H,210,277)(H,211,289)(H,212,278)(H,213,253)(H,214,265)(H,215,266)(H,216,274)(H,217,279)(H,218,272)(H,219,286)(H,220,269)(H,221,267)(H,222,282)(H,223,283)(H,224,270)(H,225,280)(H,226,271)(H,227,273)(H,228,275)(H,229,290)(H,230,292)(H,231,284)(H,232,281)(H,233,291)(H,234,297)(H,235,298)(H,236,268)(H,237,287)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H4,193,194,202)(H4,195,196,203)(H4,197,198,204)(H4,199,200,205)/p+1/t93?,94-,95-,96-,97-,98-,110?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,146-/m0/s1

>  <InChI Key>
DOIDQOQZIFEXIR-KEHCQVFISA-O

