
 CHEMBL265879

223230  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL265879

>  <PubChem CID>
44398047

>  <Formula>
C83H105ClN18O16

>  <Molecular Weight>
1646.313000

>  <IUPAC Name>


>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
16

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)N(C)C(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C

>  <Isomeric SMILES>
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C83H105ClN18O16/c1-46(2)36-69(79(114)93-60(17-10-11-34-88-47(3)4)81(116)102-35-13-18-68(102)78(113)89-48(5)71(85)106)101(7)80(115)66(40-52-24-31-59(32-25-52)92-82(86)117)97-75(110)63(39-51-22-29-58(30-23-51)91-72(107)65-43-70(105)100-83(118)99-65)96-77(112)67(45-103)98-76(111)64(42-54-14-12-33-87-44-54)95-74(109)62(38-50-20-27-57(84)28-21-50)94-73(108)61(90-49(6)104)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,44,46-48,60-69,88,103H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,89,113)(H,90,104)(H,91,107)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,110)(H,98,111)(H3,86,92,117)(H2,99,100,105,118)/t48-,60+,61-,62-,63+,64+,65+,66+,67+,68+,69+/m1/s1

>  <InChI Key>
ADFZDPBLXBNPSV-NYWLXXSZSA-N

