
 CHEMBL2370941

607608  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2370941

>  <PubChem CID>
73356175

>  <Formula>
C187H315N49O56

>  <Molecular Weight>
4145.864000

>  <IUPAC Name>


>  <XlogP>
-14.3

>  <Hydrogen Bond Donors>
56

>  <Hydrogen Bond Acceptors>
63

>  <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(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCCNC(=O)C)C(=O)NC(CCCN=C(N)N)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](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCNC(=O)C)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](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/C187H315N49O56/c1-27-31-49-110(206-154(263)111(50-35-40-73-188)207-159(268)116(55-45-78-201-184(195)196)213-173(282)130(84-99(13)14)231-182(291)186(25,90-100(15)16)235-178(287)132(86-109-92-199-94-203-109)228-174(283)131(85-108-47-33-32-34-48-108)227-177(286)136(93-237)230-172(281)129(83-98(11)12)226-176(285)134(88-146(256)257)205-107(24)239)167(276)232-149(103(20)29-3)181(290)221-125(64-72-145(254)255)168(277)233-150(104(21)30-4)180(289)220-124(63-71-144(252)253)166(275)210-112(51-36-41-74-189)156(265)214-118(57-65-137(192)240)161(270)218-121(60-68-141(246)247)163(272)209-113(52-37-42-75-190)157(266)216-120(59-67-140(244)245)162(271)208-114(53-38-43-76-191)158(267)217-122(61-69-142(248)249)165(274)219-123(62-70-143(250)251)164(273)215-119(58-66-139(242)243)153(262)204-105(22)152(261)222-133(87-138(193)241)175(284)212-115(54-39-44-77-200-106(23)238)155(264)211-117(56-46-79-202-185(197)198)160(269)223-126(80-95(5)6)169(278)224-127(81-96(7)8)170(279)225-128(82-97(9)10)171(280)229-135(89-147(258)259)179(288)236-187(26,91-101(17)18)183(292)234-148(151(194)260)102(19)28-2/h32-34,47-48,92,94-105,110-136,148-150,237H,27-31,35-46,49-91,93,188-191H2,1-26H3,(H2,192,240)(H2,193,241)(H2,194,260)(H,199,203)(H,200,238)(H,204,262)(H,205,239)(H,206,263)(H,207,268)(H,208,271)(H,209,272)(H,210,275)(H,211,264)(H,212,284)(H,213,282)(H,214,265)(H,215,273)(H,216,266)(H,217,267)(H,218,270)(H,219,274)(H,220,289)(H,221,290)(H,222,261)(H,223,269)(H,224,278)(H,225,279)(H,226,285)(H,227,286)(H,228,283)(H,229,280)(H,230,281)(H,231,291)(H,232,276)(H,233,277)(H,234,292)(H,235,287)(H,236,288)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,195,196,201)(H4,197,198,202)/t102-,103-,104-,105-,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-,148-,149-,150-,186-,187-/m0/s1

>  <InChI Key>
ULORBRZRLVUXSS-AKAVKFAJSA-N

