
 CID 44388647

669672  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388647

>  <PubChem CID>
44388647

>  <Formula>
C203H345N57O63S

>  <Molecular Weight>
4624.389000

>  <IUPAC Name>


>  <XlogP>
-21.7

>  <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(CCC(=O)N)C(=O)NC(CCC(=O)N)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)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/C203H345N57O63S/c1-27-103(18)157(252-180(301)126(63-73-154(278)279)240-195(316)158(104(19)28-2)253-181(302)127(74-84-324-26)237-170(291)114(48-35-39-78-207)225-171(292)115(49-40-79-219-202(215)216)229-182(303)128(85-97(6)7)244-184(305)130(87-99(10)11)243-179(300)121(57-67-145(211)266)234-175(296)122(58-68-146(212)267)238-192(313)139-51-42-82-259(139)199(320)137(90-102(16)17)250-189(310)135(93-155(280)281)249-196(317)159(105(20)29-3)254-191(312)138(96-261)251-197(318)160(106(21)30-4)255-193(314)140-52-43-83-260(140)200(321)141-53-44-81-258(141)150(271)95-221-165(286)117-59-69-149(270)224-117)194(315)239-125(62-72-153(276)277)178(299)228-112(46-33-37-76-205)168(289)233-120(56-66-144(210)265)174(295)236-124(61-71-152(274)275)177(298)227-113(47-34-38-77-206)169(290)235-123(60-70-151(272)273)176(297)226-111(45-32-36-75-204)167(288)232-119(55-65-143(209)264)173(294)231-118(54-64-142(208)263)166(287)223-108(23)163(284)222-109(24)164(285)241-133(91-147(213)268)188(309)247-134(92-148(214)269)187(308)230-116(50-41-80-220-203(217)218)172(293)242-129(86-98(8)9)183(304)245-131(88-100(12)13)185(306)246-132(89-101(14)15)186(307)248-136(94-156(282)283)190(311)257-162(110(25)262)198(319)256-161(201(322)323)107(22)31-5/h97-141,157-162,261-262H,27-96,204-207H2,1-26H3,(H2,208,263)(H2,209,264)(H2,210,265)(H2,211,266)(H2,212,267)(H2,213,268)(H2,214,269)(H,221,286)(H,222,284)(H,223,287)(H,224,270)(H,225,292)(H,226,297)(H,227,298)(H,228,299)(H,229,303)(H,230,308)(H,231,294)(H,232,288)(H,233,289)(H,234,296)(H,235,290)(H,236,295)(H,237,291)(H,238,313)(H,239,315)(H,240,316)(H,241,285)(H,242,293)(H,243,300)(H,244,305)(H,245,304)(H,246,306)(H,247,309)(H,248,307)(H,249,317)(H,250,310)(H,251,318)(H,252,301)(H,253,302)(H,254,312)(H,255,314)(H,256,319)(H,257,311)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,322,323)(H4,215,216,219)(H4,217,218,220)/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-,157-,158-,159-,160-,161-,162-/m0/s1

>  <InChI Key>
CXSULMFSPXVCBO-OULPURPSSA-N

