
 BDBM50158992

672676  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50158992

>  <PubChem CID>
91933211

>  <Formula>
C207H346N56O62S

>  <Molecular Weight>
4643.435000

>  <IUPAC Name>


>  <XlogP>
-18.2

>  <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(CCC(=O)N)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](CCC(=O)N)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/C207H346N56O62S/c1-27-107(18)161(255-183(302)130(67-76-158(280)281)242-199(318)162(108(19)28-2)256-184(303)131(77-87-326-26)239-174(293)119(53-38-42-81-211)228-175(294)120(54-43-82-222-206(218)219)232-185(304)132(88-101(6)7)245-188(307)135(91-104(12)13)248-190(309)137(94-115-48-33-32-34-49-115)249-182(301)126(62-71-150(215)269)240-196(315)144-56-45-85-262(144)203(322)142(93-106(16)17)253-193(312)140(97-159(282)283)252-200(319)163(109(20)29-3)257-195(314)143(100-264)254-201(320)164(110(21)30-4)258-197(316)145-57-46-86-263(145)204(323)146-58-47-84-261(146)154(273)99-224-169(288)122-63-72-153(272)227-122)198(317)241-129(66-75-157(278)279)181(300)231-117(51-36-40-79-209)172(291)236-125(61-70-149(214)268)178(297)238-128(65-74-156(276)277)180(299)230-118(52-37-41-80-210)173(292)237-127(64-73-155(274)275)179(298)229-116(50-35-39-78-208)171(290)235-124(60-69-148(213)267)177(296)234-123(59-68-147(212)266)170(289)226-112(23)167(286)225-113(24)168(287)243-138(95-151(216)270)192(311)250-139(96-152(217)271)191(310)233-121(55-44-83-223-207(220)221)176(295)244-133(89-102(8)9)186(305)246-134(90-103(10)11)187(306)247-136(92-105(14)15)189(308)251-141(98-160(284)285)194(313)260-166(114(25)265)202(321)259-165(205(324)325)111(22)31-5/h32-34,48-49,101-114,116-146,161-166,264-265H,27-31,35-47,50-100,208-211H2,1-26H3,(H2,212,266)(H2,213,267)(H2,214,268)(H2,215,269)(H2,216,270)(H2,217,271)(H,224,288)(H,225,286)(H,226,289)(H,227,272)(H,228,294)(H,229,298)(H,230,299)(H,231,300)(H,232,304)(H,233,310)(H,234,296)(H,235,290)(H,236,291)(H,237,292)(H,238,297)(H,239,293)(H,240,315)(H,241,317)(H,242,318)(H,243,287)(H,244,295)(H,245,307)(H,246,305)(H,247,306)(H,248,309)(H,249,301)(H,250,311)(H,251,308)(H,252,319)(H,253,312)(H,254,320)(H,255,302)(H,256,303)(H,257,314)(H,258,316)(H,259,321)(H,260,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,218,219,222)(H4,220,221,223)/t107-,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-,146-,161-,162-,163-,164-,165-,166-/m0/s1

>  <InChI Key>
WXQKOLWCZABIHX-IUCXCJLBSA-N

