
 CID 77232002

671675  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 77232002

>  <PubChem CID>
77232002

>  <Formula>
C205H347N57O61S

>  <Molecular Weight>
4618.429000

>  <IUPAC Name>


>  <XlogP>
-18.3

>  <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(CC(C)C)C(=O)NC(CC2=CN=CN2)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(C)C)C(=O)N[C@@H](CC2=CN=CN2)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/C205H347N57O61S/c1-29-106(20)159(254-180(299)128(63-71-156(278)279)240-197(316)160(107(21)30-2)255-181(300)129(72-82-324-28)238-172(291)118(50-37-41-76-209)227-173(292)119(51-42-77-220-204(215)216)231-182(301)130(83-99(6)7)243-185(304)133(86-102(12)13)246-188(307)136(90-114-95-219-98-223-114)247-187(306)135(88-104(16)17)250-194(313)143-53-44-80-261(143)201(320)141(89-105(18)19)252-191(310)139(93-157(280)281)251-198(317)161(108(22)31-3)256-193(312)142(97-263)253-199(318)162(109(23)32-4)257-195(314)144-54-45-81-262(144)202(321)145-55-46-79-260(145)152(271)96-222-167(286)121-59-67-151(270)226-121)196(315)239-127(62-70-155(276)277)179(298)230-116(48-35-39-74-207)170(289)235-124(58-66-148(212)267)176(295)237-126(61-69-154(274)275)178(297)229-117(49-36-40-75-208)171(290)236-125(60-68-153(272)273)177(296)228-115(47-34-38-73-206)169(288)234-123(57-65-147(211)266)175(294)233-122(56-64-146(210)265)168(287)225-111(25)165(284)224-112(26)166(285)241-137(91-149(213)268)190(309)248-138(92-150(214)269)189(308)232-120(52-43-78-221-205(217)218)174(293)242-131(84-100(8)9)183(302)244-132(85-101(10)11)184(303)245-134(87-103(14)15)186(305)249-140(94-158(282)283)192(311)259-164(113(27)264)200(319)258-163(203(322)323)110(24)33-5/h95,98-113,115-145,159-164,263-264H,29-94,96-97,206-209H2,1-28H3,(H2,210,265)(H2,211,266)(H2,212,267)(H2,213,268)(H2,214,269)(H,219,223)(H,222,286)(H,224,284)(H,225,287)(H,226,270)(H,227,292)(H,228,296)(H,229,297)(H,230,298)(H,231,301)(H,232,308)(H,233,294)(H,234,288)(H,235,289)(H,236,290)(H,237,295)(H,238,291)(H,239,315)(H,240,316)(H,241,285)(H,242,293)(H,243,304)(H,244,302)(H,245,303)(H,246,307)(H,247,306)(H,248,309)(H,249,305)(H,250,313)(H,251,317)(H,252,310)(H,253,318)(H,254,299)(H,255,300)(H,256,312)(H,257,314)(H,258,319)(H,259,311)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,322,323)(H4,215,216,220)(H4,217,218,221)/t106-,107-,108-,109-,110-,111-,112-,113+,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>
XBVMCUAYUPEQRK-RPIJKSDZSA-N

