
 BDBM50159004

669673  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50159004

>  <PubChem CID>
91933220

>  <Formula>
C206H345N55O62S

>  <Molecular Weight>
4616.409000

>  <IUPAC Name>


>  <XlogP>
-17.7

>  <Hydrogen Bond Donors>
62

>  <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(CC2=CC=CC=C2)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)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]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=CC=C2)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]3CCCN3C(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@@H]5CCC(=O)N5

>  <InChI Std. ID>
InChI=1S/C206H345N55O62S/c1-28-106(18)159(252-181(299)129(67-75-156(278)279)239-197(315)160(107(19)29-2)253-182(300)130(76-86-324-27)237-173(291)119(54-39-43-80-210)226-174(292)120(55-44-81-220-205(216)217)230-183(301)131(87-100(6)7)242-186(304)134(90-103(12)13)245-188(306)136(93-115-49-34-33-35-50-115)248-200(318)164(113(25)263)258-195(313)143-57-46-84-260(143)202(320)141(92-105(16)17)250-191(309)139(96-157(280)281)249-198(316)161(108(20)30-3)254-193(311)142(99-262)251-199(317)162(109(21)31-4)255-194(312)144-58-47-85-261(144)203(321)145-59-48-83-259(145)152(271)98-222-168(286)122-63-71-151(270)225-122)196(314)238-128(66-74-155(276)277)180(298)229-117(52-37-41-78-208)171(289)234-125(62-70-148(213)267)177(295)236-127(65-73-154(274)275)179(297)228-118(53-38-42-79-209)172(290)235-126(64-72-153(272)273)178(296)227-116(51-36-40-77-207)170(288)233-124(61-69-147(212)266)176(294)232-123(60-68-146(211)265)169(287)224-111(23)166(284)223-112(24)167(285)240-137(94-149(214)268)190(308)246-138(95-150(215)269)189(307)231-121(56-45-82-221-206(218)219)175(293)241-132(88-101(8)9)184(302)243-133(89-102(10)11)185(303)244-135(91-104(14)15)187(305)247-140(97-158(282)283)192(310)257-165(114(26)264)201(319)256-163(204(322)323)110(22)32-5/h33-35,49-50,100-114,116-145,159-165,262-264H,28-32,36-48,51-99,207-210H2,1-27H3,(H2,211,265)(H2,212,266)(H2,213,267)(H2,214,268)(H2,215,269)(H,222,286)(H,223,284)(H,224,287)(H,225,270)(H,226,292)(H,227,296)(H,228,297)(H,229,298)(H,230,301)(H,231,307)(H,232,294)(H,233,288)(H,234,289)(H,235,290)(H,236,295)(H,237,291)(H,238,314)(H,239,315)(H,240,285)(H,241,293)(H,242,304)(H,243,302)(H,244,303)(H,245,306)(H,246,308)(H,247,305)(H,248,318)(H,249,316)(H,250,309)(H,251,317)(H,252,299)(H,253,300)(H,254,311)(H,255,312)(H,256,319)(H,257,310)(H,258,313)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,322,323)(H4,216,217,220)(H4,218,219,221)/t106-,107-,108-,109-,110-,111-,112-,113+,114+,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-,165-/m0/s1

>  <InChI Key>
WBBLPFKFIABCAU-ZLNZJKNVSA-N

