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671674  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50158962

>  <PubChem CID>
91933187

>  <Formula>
C204H348N56O62S

>  <Molecular Weight>
4609.418000

>  <IUPAC Name>


>  <XlogP>
-18.5

>  <Hydrogen Bond Donors>
62

>  <Hydrogen Bond Acceptors>
69

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CCC(=O)N)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](CCC(=O)N)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/C204H348N56O62S/c1-29-104(19)157(251-180(299)127(65-74-154(277)278)239-195(314)158(105(20)30-2)252-181(300)128(75-85-323-28)236-171(290)116(51-38-42-79-208)225-172(291)117(52-43-80-219-203(215)216)229-182(301)129(86-98(7)8)243-184(303)131(88-100(11)12)242-179(298)123(60-69-146(212)266)237-196(315)160(107(22)32-4)254-192(311)140-54-45-83-259(140)200(319)138(91-103(17)18)249-189(308)136(94-155(279)280)248-197(316)159(106(21)31-3)253-191(310)139(97-261)250-198(317)161(108(23)33-5)255-193(312)141-55-46-84-260(141)201(320)142-56-47-82-258(142)150(270)96-221-166(285)119-61-70-149(269)224-119)194(313)238-126(64-73-153(275)276)178(297)228-114(49-36-40-77-206)169(288)233-122(59-68-145(211)265)175(294)235-125(63-72-152(273)274)177(296)227-115(50-37-41-78-207)170(289)234-124(62-71-151(271)272)176(295)226-113(48-35-39-76-205)168(287)232-121(58-67-144(210)264)174(293)231-120(57-66-143(209)263)167(286)223-110(25)164(283)222-111(26)165(284)240-134(92-147(213)267)188(307)246-135(93-148(214)268)187(306)230-118(53-44-81-220-204(217)218)173(292)241-130(87-99(9)10)183(302)244-132(89-101(13)14)185(304)245-133(90-102(15)16)186(305)247-137(95-156(281)282)190(309)257-163(112(27)262)199(318)256-162(202(321)322)109(24)34-6/h98-142,157-163,261-262H,29-97,205-208H2,1-28H3,(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H2,213,267)(H2,214,268)(H,221,285)(H,222,283)(H,223,286)(H,224,269)(H,225,291)(H,226,295)(H,227,296)(H,228,297)(H,229,301)(H,230,306)(H,231,293)(H,232,287)(H,233,288)(H,234,289)(H,235,294)(H,236,290)(H,237,315)(H,238,313)(H,239,314)(H,240,284)(H,241,292)(H,242,298)(H,243,303)(H,244,302)(H,245,304)(H,246,307)(H,247,305)(H,248,316)(H,249,308)(H,250,317)(H,251,299)(H,252,300)(H,253,310)(H,254,311)(H,255,312)(H,256,318)(H,257,309)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,321,322)(H4,215,216,219)(H4,217,218,220)/t104-,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-,142-,157-,158-,159-,160-,161-,162-,163-/m0/s1

>  <InChI Key>
LPYIZWHAUHAKGK-NGGBHFKXSA-N

