
 CID 56659504

323326  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 56659504

>  <PubChem CID>
56659504

>  <Formula>
C105H158N30O30

>  <Molecular Weight>
2320.599000

>  <IUPAC Name>


>  <XlogP>
-13.2

>  <Hydrogen Bond Donors>
36

>  <Hydrogen Bond Acceptors>
35

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)N

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)N

>  <InChI Std. ID>
InChI=1S/C105H158N30O30/c1-56(2)43-71(129-88(149)64(108)49-80(109)139)96(157)120-58(5)87(148)123-69(35-37-85(144)145)94(155)128-70(36-38-86(146)147)95(156)130-72(44-57(3)4)97(158)132-76(50-81(110)140)90(151)119-53-84(143)122-74(47-62-31-33-63(138)34-32-62)99(160)134-78(54-136)101(162)127-67(29-19-41-115-104(111)112)92(153)125-66(28-16-18-40-107)91(152)124-65(27-15-17-39-106)89(150)118-51-82(141)117-52-83(142)121-73(45-59-21-9-6-10-22-59)98(159)135-79(55-137)102(163)131-75(46-60-23-11-7-12-24-60)100(161)126-68(30-20-42-116-105(113)114)93(154)133-77(103(164)165)48-61-25-13-8-14-26-61/h6-14,21-26,31-34,56-58,64-79,136-138H,15-20,27-30,35-55,106-108H2,1-5H3,(H2,109,139)(H2,110,140)(H,117,141)(H,118,150)(H,119,151)(H,120,157)(H,121,142)(H,122,143)(H,123,148)(H,124,152)(H,125,153)(H,126,161)(H,127,162)(H,128,155)(H,129,149)(H,130,156)(H,131,163)(H,132,158)(H,133,154)(H,134,160)(H,135,159)(H,144,145)(H,146,147)(H,164,165)(H4,111,112,115)(H4,113,114,116)/t58-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1

>  <InChI Key>
FHCLHDONUSUAEW-SMIKCYSDSA-N

