
 CID 44388687

673676  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388687

>  <PubChem CID>
44388687

>  <Formula>
C205H351N55O61S

>  <Molecular Weight>
4594.447000

>  <IUPAC Name>


>  <XlogP>
-16.8

>  <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)NC(CC(C)C)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](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(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/C205H351N55O61S/c1-31-107(22)159(252-180(297)128(65-73-156(276)277)238-197(314)160(108(23)32-2)253-181(298)129(74-84-322-30)236-172(289)118(52-39-43-78-209)225-173(290)119(53-44-79-219-204(215)216)229-182(299)130(85-99(6)7)241-184(301)132(87-101(10)11)243-186(303)134(89-103(14)15)245-188(305)136(91-105(18)19)248-194(311)143-55-46-82-259(143)201(318)141(92-106(20)21)250-191(308)139(95-157(278)279)249-198(315)161(109(24)33-3)254-193(310)142(98-261)251-199(316)162(110(25)34-4)255-195(312)144-56-47-83-260(144)202(319)145-57-48-81-258(145)152(269)97-221-167(284)121-61-69-151(268)224-121)196(313)237-127(64-72-155(274)275)179(296)228-116(50-37-41-76-207)170(287)233-124(60-68-148(212)265)176(293)235-126(63-71-154(272)273)178(295)227-117(51-38-42-77-208)171(288)234-125(62-70-153(270)271)177(294)226-115(49-36-40-75-206)169(286)232-123(59-67-147(211)264)175(292)231-122(58-66-146(210)263)168(285)223-112(27)165(282)222-113(28)166(283)239-137(93-149(213)266)190(307)246-138(94-150(214)267)189(306)230-120(54-45-80-220-205(217)218)174(291)240-131(86-100(8)9)183(300)242-133(88-102(12)13)185(302)244-135(90-104(16)17)187(304)247-140(96-158(280)281)192(309)257-164(114(29)262)200(317)256-163(203(320)321)111(26)35-5/h99-145,159-164,261-262H,31-98,206-209H2,1-30H3,(H2,210,263)(H2,211,264)(H2,212,265)(H2,213,266)(H2,214,267)(H,221,284)(H,222,282)(H,223,285)(H,224,268)(H,225,290)(H,226,294)(H,227,295)(H,228,296)(H,229,299)(H,230,306)(H,231,292)(H,232,286)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,313)(H,238,314)(H,239,283)(H,240,291)(H,241,301)(H,242,300)(H,243,303)(H,244,302)(H,245,305)(H,246,307)(H,247,304)(H,248,311)(H,249,315)(H,250,308)(H,251,316)(H,252,297)(H,253,298)(H,254,310)(H,255,312)(H,256,317)(H,257,309)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,215,216,219)(H4,217,218,220)/t107-,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-,142-,143-,144-,145-,159-,160-,161-,162-,163-,164-/m0/s1

>  <InChI Key>
QGRFNNSYMSJYFQ-FRDJYEEVSA-N

