
 CID 44388679

675680  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388679

>  <PubChem CID>
44388679

>  <Formula>
C211H347N55O61S

>  <Molecular Weight>
4662.481000

>  <IUPAC Name>


>  <XlogP>
-16.2

>  <Hydrogen Bond Donors>
59

>  <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(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(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(CCCN=C(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](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(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](CCCN=C(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/C211H347N55O61S/c1-27-111(18)165(258-186(303)134(71-79-162(282)283)244-203(320)166(112(19)28-2)259-187(304)135(80-90-328-26)242-178(295)124(58-41-45-84-215)231-179(296)125(59-46-85-225-210(221)222)235-188(305)136(91-105(6)7)247-191(308)139(94-108(12)13)250-193(310)141(97-119-51-34-32-35-52-119)251-194(311)142(98-120-53-36-33-37-54-120)254-200(317)149-61-48-88-265(149)207(324)147(96-110(16)17)256-197(314)145(101-163(284)285)255-204(321)167(113(20)29-3)260-199(316)148(104-267)257-205(322)168(114(21)30-4)261-201(318)150-62-49-89-266(150)208(325)151-63-50-87-264(151)158(275)103-227-173(290)127-67-75-157(274)230-127)202(319)243-133(70-78-161(280)281)185(302)234-122(56-39-43-82-213)176(293)239-130(66-74-154(218)271)182(299)241-132(69-77-160(278)279)184(301)233-123(57-40-44-83-214)177(294)240-131(68-76-159(276)277)183(300)232-121(55-38-42-81-212)175(292)238-129(65-73-153(217)270)181(298)237-128(64-72-152(216)269)174(291)229-116(23)171(288)228-117(24)172(289)245-143(99-155(219)272)196(313)252-144(100-156(220)273)195(312)236-126(60-47-86-226-211(223)224)180(297)246-137(92-106(8)9)189(306)248-138(93-107(10)11)190(307)249-140(95-109(14)15)192(309)253-146(102-164(286)287)198(315)263-170(118(25)268)206(323)262-169(209(326)327)115(22)31-5/h32-37,51-54,105-118,121-151,165-170,267-268H,27-31,38-50,55-104,212-215H2,1-26H3,(H2,216,269)(H2,217,270)(H2,218,271)(H2,219,272)(H2,220,273)(H,227,290)(H,228,288)(H,229,291)(H,230,274)(H,231,296)(H,232,300)(H,233,301)(H,234,302)(H,235,305)(H,236,312)(H,237,298)(H,238,292)(H,239,293)(H,240,294)(H,241,299)(H,242,295)(H,243,319)(H,244,320)(H,245,289)(H,246,297)(H,247,308)(H,248,306)(H,249,307)(H,250,310)(H,251,311)(H,252,313)(H,253,309)(H,254,317)(H,255,321)(H,256,314)(H,257,322)(H,258,303)(H,259,304)(H,260,316)(H,261,318)(H,262,323)(H,263,315)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,326,327)(H4,221,222,225)(H4,223,224,226)/t111-,112-,113-,114-,115-,116-,117-,118+,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-,150-,151-,165-,166-,167-,168-,169-,170-/m0/s1

>  <InChI Key>
IZLXAWQWXOHDBE-KDOBAAJNSA-N

