
 CID 70692144

438443  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 70692144

>  <PubChem CID>
70692144

>  <Formula>
C139H220N44O35

>  <Molecular Weight>
3067.562000

>  <IUPAC Name>


>  <XlogP>
-9.8

>  <Hydrogen Bond Donors>
50

>  <Hydrogen Bond Acceptors>
42

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N

>  <InChI Std. ID>
InChI=1S/C139H220N44O35/c1-14-74(9)109(130(213)170-90(42-29-55-155-138(148)149)118(201)166-88(39-24-25-51-140)122(205)179-108(73(7)8)129(212)181-110(75(10)15-2)131(214)174-96(60-80-34-20-17-21-35-80)125(208)182-111(78(13)187)132(215)177-99(69-185)116(199)159-64-102(189)158-65-103(190)165-100(70-186)126(209)167-89(41-28-54-154-137(146)147)120(203)175-97(134(217)218)62-82-63-157-86-38-23-22-36-84(82)86)180-124(207)95(59-79-32-18-16-19-33-79)172-121(204)92(49-50-106(193)194)168-117(200)87(40-27-53-153-136(144)145)164-104(191)66-161-115(198)98(68-184)176-123(206)93(58-71(3)4)171-119(202)91(43-30-56-156-139(150)151)169-128(211)107(72(5)6)178-105(192)67-160-114(197)94(61-81-45-47-83(188)48-46-81)173-127(210)101-44-31-57-183(101)133(216)77(12)163-112(195)76(11)162-113(196)85(141)37-26-52-152-135(142)143/h16-23,32-36,38,45-48,63,71-78,85,87-101,107-111,157,184-188H,14-15,24-31,37,39-44,49-62,64-70,140-141H2,1-13H3,(H,158,189)(H,159,199)(H,160,197)(H,161,198)(H,162,196)(H,163,195)(H,164,191)(H,165,190)(H,166,201)(H,167,209)(H,168,200)(H,169,211)(H,170,213)(H,171,202)(H,172,204)(H,173,210)(H,174,214)(H,175,203)(H,176,206)(H,177,215)(H,178,192)(H,179,205)(H,180,207)(H,181,212)(H,182,208)(H,193,194)(H,217,218)(H4,142,143,152)(H4,144,145,153)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)/t74-,75-,76-,77-,78+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-,109-,110-,111-/m0/s1

>  <InChI Key>
UWSQLHRGKDYGIF-DMJOTEDISA-N

