
 CHEMBL2370921

590592  0  0  0  0  0  0  0  0999 V2000
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275277  1  0  0  0
275276  2  0  0  0
277282  1  0  0  0
277278  1  0  0  0
277583  1  0  0  0
278279  1  0  0  0
278584  1  0  0  0
278585  1  0  0  0
279281  1  0  0  0
279280  2  0  0  0
281586  1  0  0  0
282283  1  0  0  0
282587  1  0  0  0
283285  1  0  0  0
283284  2  0  0  0
285588  1  0  0  0
285589  1  0  0  0
285590  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2370921

>  <PubChem CID>
73350133

>  <Formula>
C182H305N49O54

>  <Molecular Weight>
4043.731000

>  <IUPAC Name>


>  <XlogP>
-15.5

>  <Hydrogen Bond Donors>
55

>  <Hydrogen Bond Acceptors>
61

>  <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(C)C(=O)NC(CC(=O)N)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)CCCN=C(N)N)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(CC2=CNC=N2)NC(=O)C(CC3=CC=CC=C3)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](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCCN=C(N)N)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](CC2=CNC=N2)NC(=O)[C@@H](CC3=CC=CC=C3)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/C182H305N49O54/c1-25-29-47-106(202-150(257)107(48-33-38-71-183)203-154(261)112(53-43-76-196-179(190)191)209-168(275)125(81-95(11)12)226-177(284)181(23,87-96(13)14)230-173(280)127(83-105-89-194-91-198-105)223-169(276)126(82-104-45-31-30-32-46-104)222-172(279)131(90-232)225-167(274)124(80-94(9)10)221-171(278)129(85-141(249)250)201-103(22)233)163(270)227-144(99(18)27-3)176(283)217-121(62-70-140(247)248)164(271)228-145(100(19)28-4)175(282)216-120(61-69-139(245)246)162(269)206-108(49-34-39-72-184)151(258)210-114(55-63-132(187)234)157(264)214-118(59-67-137(241)242)160(267)205-109(50-35-40-73-185)152(259)212-117(58-66-136(239)240)159(266)204-110(51-36-41-74-186)153(260)213-119(60-68-138(243)244)161(268)211-116(57-65-135(237)238)149(256)200-101(20)147(254)199-102(21)148(255)218-128(84-133(188)235)170(277)215-115-56-64-134(236)195-75-42-37-52-111(208-165(272)122(78-92(5)6)219-156(263)113(207-158(115)265)54-44-77-197-180(192)193)155(262)220-123(79-93(7)8)166(273)224-130(86-142(251)252)174(281)231-182(24,88-97(15)16)178(285)229-143(146(189)253)98(17)26-2/h30-32,45-46,89,91-102,106-131,143-145,232H,25-29,33-44,47-88,90,183-186H2,1-24H3,(H2,187,234)(H2,188,235)(H2,189,253)(H,194,198)(H,195,236)(H,199,254)(H,200,256)(H,201,233)(H,202,257)(H,203,261)(H,204,266)(H,205,267)(H,206,269)(H,207,265)(H,208,272)(H,209,275)(H,210,258)(H,211,268)(H,212,259)(H,213,260)(H,214,264)(H,215,277)(H,216,282)(H,217,283)(H,218,255)(H,219,263)(H,220,262)(H,221,278)(H,222,279)(H,223,276)(H,224,273)(H,225,274)(H,226,284)(H,227,270)(H,228,271)(H,229,285)(H,230,280)(H,231,281)(H,237,238)(H,239,240)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H4,190,191,196)(H4,192,193,197)/t98-,99-,100-,101-,102-,106-,107-,108-,109-,110-,111+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123-,124-,125-,126+,127-,128-,129-,130-,131-,143-,144-,145-,181-,182-/m0/s1

>  <InChI Key>
DLYOXDFSVAZOAB-NZQSHAOESA-N

