
 CHEMBL2028846

109114  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2028846

>  <PubChem CID>
70694085

>  <Formula>
C40H53N9O7

>  <Molecular Weight>
771.920000

>  <IUPAC Name>


>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCC2C(C1)CC3N2C(=O)C4CC5=CC=CC=C5CN4C(=O)C(NC(=O)C(NC(=O)CCCNC(=O)C(NC3=O)CCCN=C(N)N)C6=CC=CC=C6)CO

>  <Isomeric SMILES>
C1CCC2C(C1)C[C@@H]3N2C(=O)[C@H]4CC5=CC=CC=C5CN4C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCNC(=O)[C@@H](NC3=O)CCCN=C(N)N)C6=CC=CC=C6)CO

>  <InChI Std. ID>
InChI=1S/C40H53N9O7/c41-40(42)44-19-8-15-28-35(52)43-18-9-17-33(51)47-34(24-10-2-1-3-11-24)37(54)46-29(23-50)38(55)48-22-27-14-5-4-12-25(27)20-32(48)39(56)49-30-16-7-6-13-26(30)21-31(49)36(53)45-28/h1-5,10-12,14,26,28-32,34,50H,6-9,13,15-23H2,(H,43,52)(H,45,53)(H,46,54)(H,47,51)(H4,41,42,44)/t26?,28-,29-,30?,31-,32+,34-/m0/s1

>  <InChI Key>
JGTMGDJDZINSCB-WHIHYVNVSA-N

