
 CID 77232001

672677  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 77232001

>  <PubChem CID>
77232001

>  <Formula>
C208H345N57O61S

>  <Molecular Weight>
4652.446000

>  <IUPAC Name>


>  <XlogP>
-18.0

>  <Hydrogen Bond Donors>
60

>  <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(CC2=CN=CN2)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=CN=CN2)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/C208H345N57O61S/c1-27-108(18)162(257-183(302)131(66-74-159(281)282)243-200(319)163(109(19)28-2)258-184(303)132(75-85-327-26)241-175(294)121(53-38-42-79-212)230-176(295)122(54-43-80-223-207(218)219)234-185(304)133(86-102(6)7)246-188(307)136(89-105(12)13)249-190(309)138(92-116-48-33-32-34-49-116)250-191(310)139(93-117-98-222-101-226-117)253-197(316)146-56-45-83-264(146)204(323)144(91-107(16)17)255-194(313)142(96-160(283)284)254-201(320)164(110(20)29-3)259-196(315)145(100-266)256-202(321)165(111(21)30-4)260-198(317)147-57-46-84-265(147)205(324)148-58-47-82-263(148)155(274)99-225-170(289)124-62-70-154(273)229-124)199(318)242-130(65-73-158(279)280)182(301)233-119(51-36-40-77-210)173(292)238-127(61-69-151(215)270)179(298)240-129(64-72-157(277)278)181(300)232-120(52-37-41-78-211)174(293)239-128(63-71-156(275)276)180(299)231-118(50-35-39-76-209)172(291)237-126(60-68-150(214)269)178(297)236-125(59-67-149(213)268)171(290)228-113(23)168(287)227-114(24)169(288)244-140(94-152(216)271)193(312)251-141(95-153(217)272)192(311)235-123(55-44-81-224-208(220)221)177(296)245-134(87-103(8)9)186(305)247-135(88-104(10)11)187(306)248-137(90-106(14)15)189(308)252-143(97-161(285)286)195(314)262-167(115(25)267)203(322)261-166(206(325)326)112(22)31-5/h32-34,48-49,98,101-115,118-148,162-167,266-267H,27-31,35-47,50-97,99-100,209-212H2,1-26H3,(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H2,217,272)(H,222,226)(H,225,289)(H,227,287)(H,228,290)(H,229,273)(H,230,295)(H,231,299)(H,232,300)(H,233,301)(H,234,304)(H,235,311)(H,236,297)(H,237,291)(H,238,292)(H,239,293)(H,240,298)(H,241,294)(H,242,318)(H,243,319)(H,244,288)(H,245,296)(H,246,307)(H,247,305)(H,248,306)(H,249,309)(H,250,310)(H,251,312)(H,252,308)(H,253,316)(H,254,320)(H,255,313)(H,256,321)(H,257,302)(H,258,303)(H,259,315)(H,260,317)(H,261,322)(H,262,314)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,325,326)(H4,218,219,223)(H4,220,221,224)/t108-,109-,110-,111-,112-,113-,114-,115+,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>
ADCUPPRDMJSCSA-AJBJNSAWSA-N

