
 CHEMBL2370926

599600  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2370926

>  <PubChem CID>
73356172

>  <Formula>
C185H310N48O56

>  <Molecular Weight>
4102.795000

>  <IUPAC Name>


>  <XlogP>
-15.3

>  <Hydrogen Bond Donors>
55

>  <Hydrogen Bond Acceptors>
62

>  <Canonical SMILES>
CCCCC(C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCCNC(=O)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)(CC(C)C)C(=O)NC(C(C)CC)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C)(CC(C)C)NC(=O)C(CC1=CNC=N1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C185H310N48O56/c1-27-31-48-108(204-153(260)109(49-35-40-71-186)205-157(264)114(54-45-76-199-183(195)196)210-171(278)127(81-97(13)14)228-181(288)184(25,88-98(15)16)232-177(284)129(83-107-90-197-92-200-107)223-172(279)128(82-106-46-33-32-34-47-106)222-176(283)134(91-234)227-170(277)126(80-96(11)12)221-175(282)132(86-145(253)254)202-105(24)236)165(272)229-148(101(20)29-3)180(287)217-122(62-70-144(251)252)166(273)230-149(102(21)30-4)179(286)216-121(61-69-143(249)250)163(270)208-110(50-36-41-72-187)154(261)211-116(56-64-136(191)238)159(266)215-119(59-67-141(245)246)161(268)207-111(51-37-42-73-188)155(262)213-118(58-66-140(243)244)160(267)206-112(52-38-43-74-189)156(263)214-120(60-68-142(247)248)162(269)212-117(57-65-139(241)242)152(259)201-103(22)151(258)203-115(55-63-135(190)237)164(271)224-131(85-138(193)240)174(281)225-130(84-137(192)239)173(280)209-113(53-39-44-75-198-104(23)235)158(265)218-123(77-93(5)6)167(274)219-124(78-94(7)8)168(275)220-125(79-95(9)10)169(276)226-133(87-146(255)256)178(285)233-185(26,89-99(17)18)182(289)231-147(150(194)257)100(19)28-2/h32-34,46-47,90,92-103,108-134,147-149,234H,27-31,35-45,48-89,91,186-189H2,1-26H3,(H2,190,237)(H2,191,238)(H2,192,239)(H2,193,240)(H2,194,257)(H,197,200)(H,198,235)(H,201,259)(H,202,236)(H,203,258)(H,204,260)(H,205,264)(H,206,267)(H,207,268)(H,208,270)(H,209,280)(H,210,278)(H,211,261)(H,212,269)(H,213,262)(H,214,263)(H,215,266)(H,216,286)(H,217,287)(H,218,265)(H,219,274)(H,220,275)(H,221,282)(H,222,283)(H,223,279)(H,224,271)(H,225,281)(H,226,276)(H,227,277)(H,228,288)(H,229,272)(H,230,273)(H,231,289)(H,232,284)(H,233,285)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,195,196,199)/t100-,101-,102-,103-,108-,109-,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-,147-,148-,149-,184-,185-/m0/s1

>  <InChI Key>
YGNGEGCKRCSDIV-WSEXGSIRSA-N

