
 BDBM50159003

668671  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50159003

>  <PubChem CID>
91933219

>  <Formula>
C203H347N55O62S

>  <Molecular Weight>
4582.392000

>  <IUPAC Name>


>  <XlogP>
-17.9

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

>  <InChI Std. ID>
InChI=1S/C203H347N55O62S/c1-30-104(20)156(249-178(296)126(64-72-153(275)276)236-194(312)157(105(21)31-2)250-179(297)127(73-83-321-29)234-170(288)116(51-38-42-77-207)223-171(289)117(52-43-78-217-202(213)214)227-180(298)128(84-97(6)7)239-182(300)131(87-100(12)13)242-185(303)133(89-102(16)17)245-197(315)161(111(27)260)255-192(310)140-54-45-81-257(140)199(317)138(90-103(18)19)247-188(306)136(93-154(277)278)246-195(313)158(106(22)32-3)251-190(308)139(96-259)248-196(314)159(107(23)33-4)252-191(309)141-55-46-82-258(141)200(318)142-56-47-80-256(142)149(268)95-219-165(283)119-60-68-148(267)222-119)193(311)235-125(63-71-152(273)274)177(295)226-114(49-36-40-75-205)168(286)231-122(59-67-145(210)264)174(292)233-124(62-70-151(271)272)176(294)225-115(50-37-41-76-206)169(287)232-123(61-69-150(269)270)175(293)224-113(48-35-39-74-204)167(285)230-121(58-66-144(209)263)173(291)229-120(57-65-143(208)262)166(284)221-109(25)163(281)220-110(26)164(282)237-134(91-146(211)265)187(305)243-135(92-147(212)266)186(304)228-118(53-44-79-218-203(215)216)172(290)238-129(85-98(8)9)181(299)240-130(86-99(10)11)183(301)241-132(88-101(14)15)184(302)244-137(94-155(279)280)189(307)254-162(112(28)261)198(316)253-160(201(319)320)108(24)34-5/h97-142,156-162,259-261H,30-96,204-207H2,1-29H3,(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H,219,283)(H,220,281)(H,221,284)(H,222,267)(H,223,289)(H,224,293)(H,225,294)(H,226,295)(H,227,298)(H,228,304)(H,229,291)(H,230,285)(H,231,286)(H,232,287)(H,233,292)(H,234,288)(H,235,311)(H,236,312)(H,237,282)(H,238,290)(H,239,300)(H,240,299)(H,241,301)(H,242,303)(H,243,305)(H,244,302)(H,245,315)(H,246,313)(H,247,306)(H,248,314)(H,249,296)(H,250,297)(H,251,308)(H,252,309)(H,253,316)(H,254,307)(H,255,310)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,319,320)(H4,213,214,217)(H4,215,216,218)/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-,156-,157-,158-,159-,160-,161-,162-/m0/s1

>  <InChI Key>
GNMUGJYMKZSQFD-KAZAOXHHSA-N

