
 CHEMBL2370924

600602  0  0  0  0  0  0  0  0999 V2000
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273274  1  0  0  0
273583  1  0  0  0
273584  1  0  0  0
274276  1  0  0  0
274275  1  0  0  0
274585  1  0  0  0
275586  1  0  0  0
275587  1  0  0  0
275588  1  0  0  0
276589  1  0  0  0
276590  1  0  0  0
276591  1  0  0  0
277278  1  0  0  0
277592  1  0  0  0
278280  1  0  0  0
278279  2  0  0  0
280285  1  0  0  0
280281  1  0  0  0
280593  1  0  0  0
281282  1  0  0  0
281594  1  0  0  0
281595  1  0  0  0
282284  1  0  0  0
282283  2  0  0  0
284596  1  0  0  0
285286  1  0  0  0
285597  1  0  0  0
286288  1  0  0  0
286287  2  0  0  0
288598  1  0  0  0
288599  1  0  0  0
288600  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2370924

>  <PubChem CID>
73353095

>  <Formula>
C185H312N50O53

>  <Molecular Weight>
4084.828000

>  <IUPAC Name>


>  <XlogP>
-14.8

>  <Hydrogen Bond Donors>
55

>  <Hydrogen Bond Acceptors>
60

>  <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)N)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)C)CC(=O)N)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(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)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)CC(=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](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/C185H312N50O53/c1-26-30-48-108(205-152(259)109(49-34-39-72-186)206-157(264)114(54-44-77-200-182(194)195)212-171(278)128(83-98(13)14)230-180(287)184(24,89-99(15)16)234-176(283)130(85-107-91-198-93-202-107)227-172(279)129(84-106-46-32-31-33-47-106)226-175(282)134(92-236)229-170(277)127(82-97(11)12)225-174(281)132(87-144(252)253)204-105(23)237)165(272)231-147(102(20)28-3)179(286)220-123(63-71-143(250)251)166(273)232-148(103(21)29-4)178(285)219-122(62-70-142(248)249)164(271)209-110(50-35-40-73-187)154(261)213-116(56-64-135(190)238)160(267)218-120(60-68-140(244)245)162(269)208-111(51-36-41-74-188)155(262)216-119(59-67-139(242)243)161(268)207-112(52-37-42-75-189)156(263)217-121(61-69-141(246)247)163(270)214-117(57-65-136(191)239)159(266)215-118-58-66-138(241)199-76-43-38-53-113(211-173(280)131(86-137(192)240)221-150(257)104(22)203-151(118)258)153(260)210-115(55-45-78-201-183(196)197)158(265)222-124(79-94(5)6)167(274)223-125(80-95(7)8)168(275)224-126(81-96(9)10)169(276)228-133(88-145(254)255)177(284)235-185(25,90-100(17)18)181(288)233-146(149(193)256)101(19)27-2/h31-33,46-47,91,93-104,108-134,146-148,236H,26-30,34-45,48-90,92,186-189H2,1-25H3,(H2,190,238)(H2,191,239)(H2,192,240)(H2,193,256)(H,198,202)(H,199,241)(H,203,258)(H,204,237)(H,205,259)(H,206,264)(H,207,268)(H,208,269)(H,209,271)(H,210,260)(H,211,280)(H,212,278)(H,213,261)(H,214,270)(H,215,266)(H,216,262)(H,217,263)(H,218,267)(H,219,285)(H,220,286)(H,221,257)(H,222,265)(H,223,274)(H,224,275)(H,225,281)(H,226,282)(H,227,279)(H,228,276)(H,229,277)(H,230,287)(H,231,272)(H,232,273)(H,233,288)(H,234,283)(H,235,284)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H4,194,195,200)(H4,196,197,201)/t101-,102-,103-,104+,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-,146-,147-,148-,184-,185+/m0/s1

>  <InChI Key>
XYEPNPGTZSWAFN-POEIHVIISA-N

