
 BDBM81890

108113  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM81890

>  <PubChem CID>
53463811

>  <Formula>
C40H53N9O6

>  <Molecular Weight>
755.921000

>  <IUPAC Name>
1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[1-[[1-[2-formyl-2-(piperidine-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxopent-4-en-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N

>  <Isomeric SMILES>
CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N

>  <InChI Std. ID>
InChI=1S/C40H53N9O6/c1-3-26(2)34(38(54)49-19-10-7-15-40(49,24-50)39(55)47-16-8-4-9-17-47)46-35(51)32(20-27-22-43-31-13-6-5-12-29(27)31)45-36(52)33-14-11-18-48(33)37(53)30(41)21-28-23-42-25-44-28/h3,5-6,12-13,22-26,30,32-34,43H,1,4,7-11,14-21,41H2,2H3,(H,42,44)(H,45,52)(H,46,51)

>  <InChI Key>
QHUGACUEEILSLD-UHFFFAOYSA-N

