
 CID 44388608

668671  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388608

>  <PubChem CID>
44388608

>  <Formula>
C203H347N55O62S

>  <Molecular Weight>
4582.392000

>  <IUPAC Name>


>  <XlogP>
-18.7

>  <Hydrogen Bond Donors>
60

>  <Hydrogen Bond Acceptors>
69

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

>  <InChI Std. ID>
InChI=1S/C203H347N55O62S/c1-30-103(19)155(248-178(296)126(65-73-152(275)276)236-193(311)156(104(20)31-2)249-179(297)127(74-84-321-29)234-170(288)116(52-39-43-78-207)223-171(289)117(53-44-79-217-202(213)214)227-180(298)128(85-97(7)8)239-184(302)132(89-101(15)16)244-195(313)159(107(23)34-5)252-197(315)162(112(28)261)255-191(309)139-55-46-82-257(139)199(317)137(90-102(17)18)246-187(305)135(93-153(277)278)245-194(312)157(105(21)32-3)250-189(307)138(96-259)247-196(314)158(106(22)33-4)251-190(308)140-56-47-83-258(140)200(318)141-57-48-81-256(141)148(268)95-219-165(283)119-61-69-147(267)222-119)192(310)235-125(64-72-151(273)274)177(295)226-114(50-37-41-76-205)168(286)231-122(60-68-144(210)264)174(292)233-124(63-71-150(271)272)176(294)225-115(51-38-42-77-206)169(287)232-123(62-70-149(269)270)175(293)224-113(49-36-40-75-204)167(285)230-121(59-67-143(209)263)173(291)229-120(58-66-142(208)262)166(284)221-109(25)163(281)220-110(26)164(282)237-133(91-145(211)265)186(304)242-134(92-146(212)266)185(303)228-118(54-45-80-218-203(215)216)172(290)238-129(86-98(9)10)181(299)240-130(87-99(11)12)182(300)241-131(88-100(13)14)183(301)243-136(94-154(279)280)188(306)254-161(111(27)260)198(316)253-160(201(319)320)108(24)35-6/h97-141,155-162,259-261H,30-96,204-207H2,1-29H3,(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H,219,283)(H,220,281)(H,221,284)(H,222,267)(H,223,289)(H,224,293)(H,225,294)(H,226,295)(H,227,298)(H,228,303)(H,229,291)(H,230,285)(H,231,286)(H,232,287)(H,233,292)(H,234,288)(H,235,310)(H,236,311)(H,237,282)(H,238,290)(H,239,302)(H,240,299)(H,241,300)(H,242,304)(H,243,301)(H,244,313)(H,245,312)(H,246,305)(H,247,314)(H,248,296)(H,249,297)(H,250,307)(H,251,308)(H,252,315)(H,253,316)(H,254,306)(H,255,309)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,319,320)(H4,213,214,217)(H4,215,216,218)/t103-,104-,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-,155-,156-,157-,158-,159-,160-,161-,162-/m0/s1

>  <InChI Key>
JJBIBJMEKGJEEN-MFFVVHDZSA-N

