
 CHEMBL2369463

435438  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2369463

>  <PubChem CID>
73356029

>  <Formula>
C134H221N43O37

>  <Molecular Weight>
3026.506000

>  <IUPAC Name>


>  <XlogP>
-10.8

>  <Hydrogen Bond Donors>
44

>  <Hydrogen Bond Acceptors>
43

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC4=CNC=N4)NC(=O)C(C(C)O)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)N)O

>  <InChI Std. ID>
InChI=1S/C134H221N43O37/c1-64(2)46-83(156-99(187)58-150-109(191)71(15)154-116(198)84(47-65(3)4)163-114(196)80(38-29-43-147-133(142)143)158-119(201)87(51-77-55-146-63-153-77)168-127(209)102(140)73(17)181)117(199)164-85(48-66(5)6)118(200)171-93(62-180)125(207)160-81(39-30-44-148-134(144)145)115(197)170-91(60-178)111(193)151-56-98(186)149-57-101(189)172-104(68(9)10)130(212)174-105(69(11)12)129(211)161-79(37-26-28-42-136)113(195)166-88(52-95(137)183)121(203)167-89(53-96(138)184)120(202)165-86(50-76-34-23-20-24-35-76)122(204)175-106(70(13)14)132(214)177-45-31-40-94(177)126(208)176-107(74(18)182)131(213)169-90(54-97(139)185)123(205)173-103(67(7)8)128(210)152-59-100(188)157-92(61-179)124(206)159-78(36-25-27-41-135)112(194)155-72(16)110(192)162-82(108(141)190)49-75-32-21-19-22-33-75/h19-24,32-35,55,63-74,78-94,102-107,178-182H,25-31,36-54,56-62,135-136,140H2,1-18H3,(H2,137,183)(H2,138,184)(H2,139,185)(H2,141,190)(H,146,153)(H,149,186)(H,150,191)(H,151,193)(H,152,210)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,192)(H,163,196)(H,164,199)(H,165,202)(H,166,195)(H,167,203)(H,168,209)(H,169,213)(H,170,197)(H,171,200)(H,172,189)(H,173,205)(H,174,212)(H,175,204)(H,176,208)(H4,142,143,147)(H4,144,145,148)/t71-,72-,73+,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-,103-,104-,105-,106-,107-/m0/s1

>  <InChI Key>
BQBMCJGIAUYYCP-BPXOXBHOSA-N

