
 CHEMBL2371968

154161  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2371968

>  <PubChem CID>
73345617

>  <Formula>
C59H76N10O9

>  <Molecular Weight>
1069.318000

>  <IUPAC Name>


>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C2CCCCN2C(=O)C(NC(=O)C3CC4CCCCC4N3C1=O)CC5=CC=C(C=C5)C6=CC=CC=C6)CC7=CNC8=CC=CC=C87)C(=O)N)NC(=O)C

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@@H]3CC4CCCCC4N3C1=O)CC5=CC=C(C=C5)C6=CC=CC=C6)CC7=CNC8=CC=CC=C87)C(=O)N)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C59H76N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h5-7,9-10,16-17,19,21,25-28,35,40,44-51,62H,3-4,8,11-15,18,20,22-24,29-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t40?,44-,45-,46-,47-,48-,49?,50-,51-/m0/s1

>  <InChI Key>
BMAPOAMSOKHHLD-ZNLSIPTCSA-N

