
 CID 44388680

681687  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44388680

>  <PubChem CID>
44388680

>  <Formula>
C215H349N55O61S

>  <Molecular Weight>
4712.541000

>  <IUPAC Name>


>  <XlogP>
-15.0

>  <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=CC4=CC=CC=C43)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)C5CCCN5C(=O)C6CCCN6C(=O)CNC(=O)C7CCC(=O)N7

>  <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=CC4=CC=CC=C43)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]5CCCN5C(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@@H]7CCC(=O)N7

>  <InChI Std. ID>
InChI=1S/C215H349N55O61S/c1-27-113(18)169(262-190(307)138(73-81-166(286)287)248-207(324)170(114(19)28-2)263-191(308)139(82-92-332-26)246-182(299)128(60-40-44-86-219)235-183(300)129(61-46-87-229-214(225)226)239-192(309)140(93-107(6)7)251-195(312)143(96-110(12)13)254-198(315)146(100-123-55-45-54-122-53-35-36-56-124(122)123)255-197(314)145(99-121-51-33-32-34-52-121)258-204(321)153-63-48-90-269(153)211(328)151(98-112(16)17)260-201(318)149(103-167(288)289)259-208(325)171(115(20)29-3)264-203(320)152(106-271)261-209(326)172(116(21)30-4)265-205(322)154-64-49-91-270(154)212(329)155-65-50-89-268(155)162(279)105-231-177(294)131-69-77-161(278)234-131)206(323)247-137(72-80-165(284)285)189(306)238-126(58-38-42-84-217)180(297)243-134(68-76-158(222)275)186(303)245-136(71-79-164(282)283)188(305)237-127(59-39-43-85-218)181(298)244-135(70-78-163(280)281)187(304)236-125(57-37-41-83-216)179(296)242-133(67-75-157(221)274)185(302)241-132(66-74-156(220)273)178(295)233-118(23)175(292)232-119(24)176(293)249-147(101-159(223)276)200(317)256-148(102-160(224)277)199(316)240-130(62-47-88-230-215(227)228)184(301)250-141(94-108(8)9)193(310)252-142(95-109(10)11)194(311)253-144(97-111(14)15)196(313)257-150(104-168(290)291)202(319)267-174(120(25)272)210(327)266-173(213(330)331)117(22)31-5/h32-36,45,51-56,107-120,125-155,169-174,271-272H,27-31,37-44,46-50,57-106,216-219H2,1-26H3,(H2,220,273)(H2,221,274)(H2,222,275)(H2,223,276)(H2,224,277)(H,231,294)(H,232,292)(H,233,295)(H,234,278)(H,235,300)(H,236,304)(H,237,305)(H,238,306)(H,239,309)(H,240,316)(H,241,302)(H,242,296)(H,243,297)(H,244,298)(H,245,303)(H,246,299)(H,247,323)(H,248,324)(H,249,293)(H,250,301)(H,251,312)(H,252,310)(H,253,311)(H,254,315)(H,255,314)(H,256,317)(H,257,313)(H,258,321)(H,259,325)(H,260,318)(H,261,326)(H,262,307)(H,263,308)(H,264,320)(H,265,322)(H,266,327)(H,267,319)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,330,331)(H4,225,226,229)(H4,227,228,230)/t113-,114-,115-,116-,117-,118-,119-,120+,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-,152-,153-,154-,155-,169-,170-,171-,172-,173-,174-/m0/s1

>  <InChI Key>
IURFPAFMSNXKDJ-ZULLFCQYSA-N

