
 CHEMBL265020

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

>  <Chemical Name>
CHEMBL265020

>  <PubChem CID>
44398135

>  <Formula>
C83H103ClN18O18

>  <Molecular Weight>
1676.295000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
16

>  <Hydrogen Bond Acceptors>
20

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CN(C)CCC(=O)OC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=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](CN(C)CCC(=O)OC(C)C)NC(=O)[C@H](CC(C)C)NC(=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/C83H103ClN18O18/c1-45(2)34-59(73(109)97-66(43-101(7)33-30-70(106)120-46(3)4)81(117)102-32-11-15-68(102)80(116)88-47(5)71(85)107)92-75(111)62(37-51-21-28-58(29-22-51)91-82(86)118)94-77(113)63(38-50-19-26-57(27-20-50)90-72(108)65-41-69(105)100-83(119)99-65)96-79(115)67(44-103)98-78(114)64(40-53-12-10-31-87-42-53)95-76(112)61(36-49-17-24-56(84)25-18-49)93-74(110)60(89-48(6)104)39-52-16-23-54-13-8-9-14-55(54)35-52/h8-10,12-14,16-29,31,35,42,45-47,59-68,103H,11,15,30,32-34,36-41,43-44H2,1-7H3,(H2,85,107)(H,88,116)(H,89,104)(H,90,108)(H,92,111)(H,93,110)(H,94,113)(H,95,112)(H,96,115)(H,97,109)(H,98,114)(H3,86,91,118)(H2,99,100,105,119)/t47-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+/m1/s1

>  <InChI Key>
ATBNDKUGTNWRBY-DNNNKYRUSA-N

