
 BDBM50158998

670673  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50158998

>  <PubChem CID>
91933215

>  <Formula>
C204H347N55O63S

>  <Molecular Weight>
4610.402000

>  <IUPAC Name>


>  <XlogP>
-17.8

>  <Hydrogen Bond Donors>
62

>  <Hydrogen Bond Acceptors>
70

>  <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(CCC(=O)O)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)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](CCC(=O)O)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]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C204H347N55O63S/c1-29-105(20)158(251-180(299)127(64-73-155(277)278)238-196(315)159(106(21)30-2)252-181(300)128(74-84-323-28)236-171(290)116(50-37-41-78-208)224-172(291)117(51-42-79-218-203(214)215)228-182(301)129(85-98(6)7)242-185(304)131(87-100(10)11)241-179(298)125(62-71-153(273)274)235-183(302)134(90-103(16)17)247-193(312)141-53-44-82-258(141)200(319)139(91-104(18)19)249-190(309)137(94-156(279)280)248-197(316)160(107(22)31-3)253-192(311)140(97-260)250-198(317)161(108(23)32-4)254-194(313)142-54-45-83-259(142)201(320)143-55-46-81-257(143)150(268)96-220-166(285)119-59-68-149(267)223-119)195(314)237-126(63-72-154(275)276)178(297)227-114(48-35-39-76-206)169(288)232-122(58-67-146(211)264)175(294)234-124(61-70-152(271)272)177(296)226-115(49-36-40-77-207)170(289)233-123(60-69-151(269)270)176(295)225-113(47-34-38-75-205)168(287)231-121(57-66-145(210)263)174(293)230-120(56-65-144(209)262)167(286)222-110(25)164(283)221-111(26)165(284)239-135(92-147(212)265)189(308)245-136(93-148(213)266)188(307)229-118(52-43-80-219-204(216)217)173(292)240-130(86-99(8)9)184(303)243-132(88-101(12)13)186(305)244-133(89-102(14)15)187(306)246-138(95-157(281)282)191(310)256-163(112(27)261)199(318)255-162(202(321)322)109(24)33-5/h98-143,158-163,260-261H,29-97,205-208H2,1-28H3,(H2,209,262)(H2,210,263)(H2,211,264)(H2,212,265)(H2,213,266)(H,220,285)(H,221,283)(H,222,286)(H,223,267)(H,224,291)(H,225,295)(H,226,296)(H,227,297)(H,228,301)(H,229,307)(H,230,293)(H,231,287)(H,232,288)(H,233,289)(H,234,294)(H,235,302)(H,236,290)(H,237,314)(H,238,315)(H,239,284)(H,240,292)(H,241,298)(H,242,304)(H,243,303)(H,244,305)(H,245,308)(H,246,306)(H,247,312)(H,248,316)(H,249,309)(H,250,317)(H,251,299)(H,252,300)(H,253,311)(H,254,313)(H,255,318)(H,256,310)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,321,322)(H4,214,215,218)(H4,216,217,219)/t105-,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-,143-,158-,159-,160-,161-,162-,163-/m0/s1

>  <InChI Key>
LAYWQQQYCONCBQ-YVLOLZEYSA-N

