
 BDBM50158975

671676  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50158975

>  <PubChem CID>
91933198

>  <Formula>
C209H345N55O61S

>  <Molecular Weight>
4636.443000

>  <IUPAC Name>


>  <XlogP>
-15.8

>  <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(C)C(=O)NC(CC2=CC=CC3=CC=CC=C32)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)C4CCCN4C(=O)C5CCCN5C(=O)CNC(=O)C6CCC(=O)N6

>  <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)C(=O)N[C@@H](CC2=CC=CC3=CC=CC=C32)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]4CCCN4C(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@@H]6CCC(=O)N6

>  <InChI Std. ID>
InChI=1S/C209H345N55O61S/c1-28-108(18)163(256-185(302)133(69-77-160(280)281)243-201(318)164(109(19)29-2)257-186(303)134(78-88-326-27)241-177(294)123(56-38-42-82-213)230-178(295)124(57-44-83-223-208(219)220)234-187(304)135(89-102(6)7)247-190(307)138(92-105(12)13)250-192(309)140(95-118-51-43-50-117-49-33-34-52-119(117)118)244-171(288)115(25)228-198(315)147-59-46-86-263(147)205(322)145(94-107(16)17)254-195(312)143(98-161(282)283)253-202(319)165(110(20)30-3)258-197(314)146(101-265)255-203(320)166(111(21)31-4)259-199(316)148-60-47-87-264(148)206(323)149-61-48-85-262(149)156(273)100-225-172(289)126-65-73-155(272)229-126)200(317)242-132(68-76-159(278)279)184(301)233-121(54-36-40-80-211)175(292)238-129(64-72-152(216)269)181(298)240-131(67-75-158(276)277)183(300)232-122(55-37-41-81-212)176(293)239-130(66-74-157(274)275)182(299)231-120(53-35-39-79-210)174(291)237-128(63-71-151(215)268)180(297)236-127(62-70-150(214)267)173(290)227-113(23)169(286)226-114(24)170(287)245-141(96-153(217)270)194(311)251-142(97-154(218)271)193(310)235-125(58-45-84-224-209(221)222)179(296)246-136(90-103(8)9)188(305)248-137(91-104(10)11)189(306)249-139(93-106(14)15)191(308)252-144(99-162(284)285)196(313)261-168(116(26)266)204(321)260-167(207(324)325)112(22)32-5/h33-34,43,49-52,102-116,120-149,163-168,265-266H,28-32,35-42,44-48,53-101,210-213H2,1-27H3,(H2,214,267)(H2,215,268)(H2,216,269)(H2,217,270)(H2,218,271)(H,225,289)(H,226,286)(H,227,290)(H,228,315)(H,229,272)(H,230,295)(H,231,299)(H,232,300)(H,233,301)(H,234,304)(H,235,310)(H,236,297)(H,237,291)(H,238,292)(H,239,293)(H,240,298)(H,241,294)(H,242,317)(H,243,318)(H,244,288)(H,245,287)(H,246,296)(H,247,307)(H,248,305)(H,249,306)(H,250,309)(H,251,311)(H,252,308)(H,253,319)(H,254,312)(H,255,320)(H,256,302)(H,257,303)(H,258,314)(H,259,316)(H,260,321)(H,261,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,219,220,223)(H4,221,222,224)/t108-,109-,110-,111-,112-,113-,114-,115-,116+,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-,149-,163-,164-,165-,166-,167-,168-/m0/s1

>  <InChI Key>
XYFYWZJOVILDAU-FLPUPMGUSA-N

