
 CID 44398121

218226  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44398121

>  <PubChem CID>
44398121

>  <Formula>
C82H99ClN20O16

>  <Molecular Weight>
1656.268000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
18

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
CC(C)NCCCCC(C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CNC=N2)NC(=O)C(CC3=CC=C(C=C3)NC(=O)N)NC(=O)C(CC4=CC=C(C=C4)NC(=O)C5CC(=O)NC(=O)N5)NC(=O)C(CO)NC(=O)C(CC6=CN=CC=C6)NC(=O)C(CC7=CC=C(C=C7)Cl)NC(=O)C(CC8=CC9=CC=CC=C9C=C8)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](CC2=CNC=N2)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)NC(=O)[C@@H]5CC(=O)NC(=O)N5)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CC=C6)NC(=O)[C@@H](CC7=CC=C(C=C7)Cl)NC(=O)[C@@H](CC8=CC9=CC=CC=C9C=C8)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C82H99ClN20O16/c1-45(2)88-31-8-7-14-59(80(117)103-32-10-15-68(103)79(116)90-46(3)70(84)107)94-77(114)65(39-58-42-87-44-89-58)99-75(112)62(35-50-21-28-57(29-22-50)93-81(85)118)96-74(111)63(36-49-19-26-56(27-20-49)92-71(108)66-40-69(106)102-82(119)101-66)98-78(115)67(43-104)100-76(113)64(38-52-11-9-30-86-41-52)97-73(110)61(34-48-17-24-55(83)25-18-48)95-72(109)60(91-47(4)105)37-51-16-23-53-12-5-6-13-54(53)33-51/h5-6,9,11-13,16-30,33,41-42,44-46,59-68,88,104H,7-8,10,14-15,31-32,34-40,43H2,1-4H3,(H2,84,107)(H,87,89)(H,90,116)(H,91,105)(H,92,108)(H,94,114)(H,95,109)(H,96,111)(H,97,110)(H,98,115)(H,99,112)(H,100,113)(H3,85,93,118)(H2,101,102,106,119)/t46-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+/m1/s1

>  <InChI Key>
AVDWFNSYNAOKHY-ZHJDBSCFSA-N

