
 CID 44388705

661664  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388705

>  <PubChem CID>
44388705

>  <Formula>
C201H343N55O61S

>  <Molecular Weight>
4538.339000

>  <IUPAC Name>


>  <XlogP>
-18.5

>  <Hydrogen Bond Donors>
59

>  <Hydrogen Bond Acceptors>
68

>  <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(C)C)C(=O)NCC(=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)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C4CCC(=O)N4

>  <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(C)C)C(=O)NCC(=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]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C201H343N55O61S/c1-29-104(20)156(248-178(295)125(63-71-153(273)274)236-193(310)157(105(21)30-2)249-179(296)126(72-82-318-28)234-170(287)115(50-37-41-76-205)223-171(288)116(51-42-77-215-200(211)212)227-181(298)129(85-99(10)11)239-180(297)128(84-98(8)9)222-148(265)94-217-165(282)127(83-97(6)7)244-190(307)139-53-44-80-255(139)197(314)137(89-103(18)19)246-187(304)135(92-154(275)276)245-194(311)158(106(22)31-3)250-189(306)138(96-257)247-195(312)159(107(23)32-4)251-191(308)140-54-45-81-256(140)198(315)141-55-46-79-254(141)149(266)95-218-164(281)118-59-67-147(264)221-118)192(309)235-124(62-70-152(271)272)177(294)226-113(48-35-39-74-203)168(285)231-121(58-66-144(208)261)174(291)233-123(61-69-151(269)270)176(293)225-114(49-36-40-75-204)169(286)232-122(60-68-150(267)268)175(292)224-112(47-34-38-73-202)167(284)230-120(57-65-143(207)260)173(290)229-119(56-64-142(206)259)166(283)220-109(25)162(279)219-110(26)163(280)237-133(90-145(209)262)186(303)242-134(91-146(210)263)185(302)228-117(52-43-78-216-201(213)214)172(289)238-130(86-100(12)13)182(299)240-131(87-101(14)15)183(300)241-132(88-102(16)17)184(301)243-136(93-155(277)278)188(305)253-161(111(27)258)196(313)252-160(199(316)317)108(24)33-5/h97-141,156-161,257-258H,29-96,202-205H2,1-28H3,(H2,206,259)(H2,207,260)(H2,208,261)(H2,209,262)(H2,210,263)(H,217,282)(H,218,281)(H,219,279)(H,220,283)(H,221,264)(H,222,265)(H,223,288)(H,224,292)(H,225,293)(H,226,294)(H,227,298)(H,228,302)(H,229,290)(H,230,284)(H,231,285)(H,232,286)(H,233,291)(H,234,287)(H,235,309)(H,236,310)(H,237,280)(H,238,289)(H,239,297)(H,240,299)(H,241,300)(H,242,303)(H,243,301)(H,244,307)(H,245,311)(H,246,304)(H,247,312)(H,248,295)(H,249,296)(H,250,306)(H,251,308)(H,252,313)(H,253,305)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,316,317)(H4,211,212,215)(H4,213,214,216)/t104-,105-,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-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,156-,157-,158-,159-,160-,161-/m0/s1

>  <InChI Key>
BFRWTTHHSLAUBE-DDQHWCMSSA-N

