
 CHEMBL2370632

311315  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2370632

>  <PubChem CID>
73345485

>  <Formula>
C97H155N33O26

>  <Molecular Weight>
2199.512000

>  <IUPAC Name>


>  <XlogP>
-10.1

>  <Hydrogen Bond Donors>
33

>  <Hydrogen Bond Acceptors>
32

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C2CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C(NC(=O)C(CC(=O)N2)NC(=O)C(CC4=CC=C(C=C4)O)N)CO)CCCCN)C)CCCN=C(N)N)CC5=CNC=N5

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@@H]2CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N2)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)CO)CCCCN)C)CCCN=C(N)N)CC5=CNC=N5

>  <InChI Std. ID>
InChI=1S/C97H155N33O26/c1-9-48(5)74(90(151)124-65(41-72(101)136)84(145)122-63(37-47(3)4)86(147)127-75(49(6)10-2)91(152)129-76(51(8)132)92(153)119-60(20-15-35-111-97(106)107)80(141)118-61(30-31-71(100)135)83(144)117-59(19-14-34-110-96(104)105)82(143)125-67(94(155)156)39-53-24-28-56(134)29-25-53)128-87(148)68-44-112-79(140)64(40-54-43-108-46-113-54)123-81(142)58(18-13-33-109-95(102)103)116-77(138)50(7)114-89(150)70-21-16-36-130(70)93(154)62(17-11-12-32-98)120-88(149)69(45-131)126-85(146)66(42-73(137)115-68)121-78(139)57(99)38-52-22-26-55(133)27-23-52/h22-29,43,46-51,57-70,74-76,131-134H,9-21,30-42,44-45,98-99H2,1-8H3,(H2,100,135)(H2,101,136)(H,108,113)(H,112,140)(H,114,150)(H,115,137)(H,116,138)(H,117,144)(H,118,141)(H,119,153)(H,120,149)(H,121,139)(H,122,145)(H,123,142)(H,124,151)(H,125,143)(H,126,146)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t48-,49-,50+,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,74-,75-,76-/m0/s1

>  <InChI Key>
ANIBHQBBNODOQJ-MKOMAIAQSA-N

