
 BDBM50158961

674678  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50158961

>  <PubChem CID>
91933186

>  <Formula>
C208H349N55O61S

>  <Molecular Weight>
4628.464000

>  <IUPAC Name>


>  <XlogP>
-15.7

>  <Hydrogen Bond Donors>
61

>  <Hydrogen Bond Acceptors>
68

>  <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(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](CC(C)C)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/C208H349N55O61S/c1-29-109(20)162(255-183(300)131(68-76-159(279)280)241-200(317)163(110(21)30-2)256-184(301)132(77-87-325-28)239-175(292)121(55-40-44-81-212)228-176(293)122(56-45-82-222-207(218)219)232-185(302)133(88-102(6)7)244-188(305)136(91-105(12)13)247-191(308)139(95-117-50-35-34-36-51-117)248-190(307)138(93-107(16)17)251-197(314)146-58-47-85-262(146)204(321)144(94-108(18)19)253-194(311)142(98-160(281)282)252-201(318)164(111(22)31-3)257-196(313)145(101-264)254-202(319)165(112(23)32-4)258-198(315)147-59-48-86-263(147)205(322)148-60-49-84-261(148)155(272)100-224-170(287)124-64-72-154(271)227-124)199(316)240-130(67-75-158(277)278)182(299)231-119(53-38-42-79-210)173(290)236-127(63-71-151(215)268)179(296)238-129(66-74-157(275)276)181(298)230-120(54-39-43-80-211)174(291)237-128(65-73-156(273)274)180(297)229-118(52-37-41-78-209)172(289)235-126(62-70-150(214)267)178(295)234-125(61-69-149(213)266)171(288)226-114(25)168(285)225-115(26)169(286)242-140(96-152(216)269)193(310)249-141(97-153(217)270)192(309)233-123(57-46-83-223-208(220)221)177(294)243-134(89-103(8)9)186(303)245-135(90-104(10)11)187(304)246-137(92-106(14)15)189(306)250-143(99-161(283)284)195(312)260-167(116(27)265)203(320)259-166(206(323)324)113(24)33-5/h34-36,50-51,102-116,118-148,162-167,264-265H,29-33,37-49,52-101,209-212H2,1-28H3,(H2,213,266)(H2,214,267)(H2,215,268)(H2,216,269)(H2,217,270)(H,224,287)(H,225,285)(H,226,288)(H,227,271)(H,228,293)(H,229,297)(H,230,298)(H,231,299)(H,232,302)(H,233,309)(H,234,295)(H,235,289)(H,236,290)(H,237,291)(H,238,296)(H,239,292)(H,240,316)(H,241,317)(H,242,286)(H,243,294)(H,244,305)(H,245,303)(H,246,304)(H,247,308)(H,248,307)(H,249,310)(H,250,306)(H,251,314)(H,252,318)(H,253,311)(H,254,319)(H,255,300)(H,256,301)(H,257,313)(H,258,315)(H,259,320)(H,260,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,323,324)(H4,218,219,222)(H4,220,221,223)/t109-,110-,111-,112-,113-,114-,115-,116+,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-,146-,147-,148-,162-,163-,164-,165-,166-,167-/m0/s1

>  <InChI Key>
JRVMFBJKDNBAHO-ZZQOYQQBSA-N

