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M  END

>  <Chemical Name>
BDBM50158969

>  <PubChem CID>
91933193

>  <Formula>
C205H351N55O61S

>  <Molecular Weight>
4594.447000

>  <IUPAC Name>


>  <XlogP>
-16.0

>  <Hydrogen Bond Donors>
61

>  <Hydrogen Bond Acceptors>
68

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=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(CCCNC(=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)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C4CCC(=O)N4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](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](CCCNC(=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](CCCNC(=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]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C205H351N55O61S/c1-31-106(21)158(251-180(297)128(66-74-155(276)277)238-196(313)159(107(22)32-2)252-181(298)129(75-85-322-30)236-172(289)118(53-40-44-79-209)225-173(290)119(54-45-80-219-204(215)216)229-182(299)130(86-99(7)8)241-184(301)133(89-102(13)14)244-187(304)135(91-104(17)18)247-198(315)161(109(24)34-4)254-193(310)142-56-47-83-259(142)201(318)140(92-105(19)20)249-190(307)138(95-156(278)279)248-197(314)160(108(23)33-3)253-192(309)141(98-261)250-199(316)162(110(25)35-5)255-194(311)143-57-48-84-260(143)202(319)144-58-49-82-258(144)151(269)97-221-167(284)121-62-70-150(268)224-121)195(312)237-127(65-73-154(274)275)179(296)228-116(51-38-42-77-207)170(287)233-124(61-69-147(212)265)176(293)235-126(64-72-153(272)273)178(295)227-117(52-39-43-78-208)171(288)234-125(63-71-152(270)271)177(294)226-115(50-37-41-76-206)169(286)232-123(60-68-146(211)264)175(292)231-122(59-67-145(210)263)168(285)223-112(27)165(282)222-113(28)166(283)239-136(93-148(213)266)189(306)245-137(94-149(214)267)188(305)230-120(55-46-81-220-205(217)218)174(291)240-131(87-100(9)10)183(300)242-132(88-101(11)12)185(302)243-134(90-103(15)16)186(303)246-139(96-157(280)281)191(308)257-164(114(29)262)200(317)256-163(203(320)321)111(26)36-6/h99-144,158-164,261-262H,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,230,305)(H,231,292)(H,232,286)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,312)(H,238,313)(H,239,283)(H,240,291)(H,241,301)(H,242,300)(H,243,302)(H,244,304)(H,245,306)(H,246,303)(H,247,315)(H,248,314)(H,249,307)(H,250,316)(H,251,297)(H,252,298)(H,253,309)(H,254,310)(H,255,311)(H,256,317)(H,257,308)(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)/t106-,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-,142-,143-,144-,158-,159-,160-,161-,162-,163-,164-/m0/s1

>  <InChI Key>
JWYHSLMUCDLPGK-TVWGFNMKSA-N

