
 CHEMBL406337

211217  0  0  0  0  0  0  0  0999 V2000
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 87 88  2  0  0  0
 87194  1  0  0  0
 88 89  1  0  0  0
 88 91  1  0  0  0
 89 90  2  0  0  0
 89195  1  0  0  0
 90196  1  0  0  0
 92 93  1  0  0  0
 92197  1  0  0  0
 93 95  1  0  0  0
 93 94  2  0  0  0
 95107  1  0  0  0
 95 96  1  0  0  0
 95198  1  0  0  0
 96 97  1  0  0  0
 96199  1  0  0  0
 96200  1  0  0  0
 97106  1  0  0  0
 97 98  2  0  0  0
 98 99  1  0  0  0
 98201  1  0  0  0
 99104  1  0  0  0
 99100  2  0  0  0
100101  1  0  0  0
100202  1  0  0  0
101102  2  0  0  0
101203  1  0  0  0
102103  1  0  0  0
102204  1  0  0  0
103104  2  0  0  0
103205  1  0  0  0
104105  1  0  0  0
105106  2  0  0  0
105206  1  0  0  0
106207  1  0  0  0
107108  1  0  0  0
107208  1  0  0  0
108110  1  0  0  0
108109  2  0  0  0
110209  1  0  0  0
110210  1  0  0  0
110211  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL406337

>  <PubChem CID>
16144515

>  <Formula>
C79H101ClN16O14

>  <Molecular Weight>
1534.225000

>  <IUPAC Name>


>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
15

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCCNC(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)C)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)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)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C79H101ClN16O14/c1-45(2)36-61(70(101)89-60(17-10-11-34-84-46(3)4)78(109)96-35-13-18-68(96)77(108)85-47(5)69(81)100)90-72(103)64(39-52-24-31-59(32-25-52)88-79(82)110)92-74(105)65(40-51-22-29-58(30-23-51)86-48(6)98)94-76(107)67(44-97)95-75(106)66(42-54-14-12-33-83-43-54)93-73(104)63(38-50-20-27-57(80)28-21-50)91-71(102)62(87-49(7)99)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,43,45-47,60-68,84,97H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,81,100)(H,85,108)(H,86,98)(H,87,99)(H,89,101)(H,90,103)(H,91,102)(H,92,105)(H,93,104)(H,94,107)(H,95,106)(H3,82,88,110)/t47-,60+,61+,62-,63-,64-,65+,66-,67+,68+/m1/s1

>  <InChI Key>
BADQPWIJLVLFOS-STRMTVNPSA-N

