
 CID 44388685

670674  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388685

>  <PubChem CID>
44388685

>  <Formula>
C206H344N56O63S

>  <Molecular Weight>
4645.407000

>  <IUPAC Name>


>  <XlogP>
-19.7

>  <Hydrogen Bond Donors>
61

>  <Hydrogen Bond Acceptors>
70

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)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)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(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(C)O)C(=O)NC(C(C)CC)C(=O)O)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)CNC(=O)C5CCC(=O)N5

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)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)N)C(=O)N[C@@H](CCC(=O)N)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](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@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@@H]5CCC(=O)N5

>  <InChI Std. ID>
InChI=1S/C206H344N56O63S/c1-27-105(18)160(254-181(301)128(65-73-157(280)281)240-198(318)161(106(19)28-2)255-182(302)129(74-84-326-26)238-173(293)118(48-35-39-78-210)227-174(294)119(49-40-79-221-205(217)218)231-183(303)130(85-99(6)7)243-186(306)133(88-102(12)13)246-188(308)135(91-113-54-56-114(265)57-55-113)247-191(311)138(94-151(216)271)250-195(315)143-51-42-82-261(143)202(322)141(90-104(16)17)252-192(312)139(95-158(282)283)251-199(319)162(107(20)29-3)256-194(314)142(98-263)253-200(320)163(108(21)30-4)257-196(316)144-52-43-83-262(144)203(323)145-53-44-81-260(145)153(273)97-223-168(288)121-61-69-152(272)226-121)197(317)239-127(64-72-156(278)279)180(300)230-116(46-33-37-76-208)171(291)235-124(60-68-148(213)268)177(297)237-126(63-71-155(276)277)179(299)229-117(47-34-38-77-209)172(292)236-125(62-70-154(274)275)178(298)228-115(45-32-36-75-207)170(290)234-123(59-67-147(212)267)176(296)233-122(58-66-146(211)266)169(289)225-110(23)166(286)224-111(24)167(287)241-136(92-149(214)269)190(310)248-137(93-150(215)270)189(309)232-120(50-41-80-222-206(219)220)175(295)242-131(86-100(8)9)184(304)244-132(87-101(10)11)185(305)245-134(89-103(14)15)187(307)249-140(96-159(284)285)193(313)259-165(112(25)264)201(321)258-164(204(324)325)109(22)31-5/h54-57,99-112,115-145,160-165,263-265H,27-53,58-98,207-210H2,1-26H3,(H2,211,266)(H2,212,267)(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H,223,288)(H,224,286)(H,225,289)(H,226,272)(H,227,294)(H,228,298)(H,229,299)(H,230,300)(H,231,303)(H,232,309)(H,233,296)(H,234,290)(H,235,291)(H,236,292)(H,237,297)(H,238,293)(H,239,317)(H,240,318)(H,241,287)(H,242,295)(H,243,306)(H,244,304)(H,245,305)(H,246,308)(H,247,311)(H,248,310)(H,249,307)(H,250,315)(H,251,319)(H,252,312)(H,253,320)(H,254,301)(H,255,302)(H,256,314)(H,257,316)(H,258,321)(H,259,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,217,218,221)(H4,219,220,222)/t105-,106-,107-,108-,109-,110-,111-,112+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,160-,161-,162-,163-,164-,165-/m0/s1

>  <InChI Key>
MMKRHRJIIWDURM-WALAHJQGSA-N

