
 CHEMBL328602

100104  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL328602

>  <PubChem CID>
10033013

>  <Formula>
C41H46N6O6S

>  <Molecular Weight>
750.915000

>  <IUPAC Name>
3-methylbutyl N-[2-[4-[[4-ethyl-2-propyl-5-[3-[pyridine-3-carbonyl(pyridin-3-yl)amino]propanoyl]imidazol-1-yl]methyl]phenyl]phenyl]sulfonylcarbamate

>  <XlogP>
6.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)C(=O)CCN(C4=CN=CC=C4)C(=O)C5=CN=CC=C5)CC

>  <Isomeric SMILES>
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)C(=O)CCN(C4=CN=CC=C4)C(=O)C5=CN=CC=C5)CC

>  <InChI Std. ID>
InChI=1S/C41H46N6O6S/c1-5-11-38-44-35(6-2)39(36(48)20-24-46(33-13-10-23-43-27-33)40(49)32-12-9-22-42-26-32)47(38)28-30-16-18-31(19-17-30)34-14-7-8-15-37(34)54(51,52)45-41(50)53-25-21-29(3)4/h7-10,12-19,22-23,26-27,29H,5-6,11,20-21,24-25,28H2,1-4H3,(H,45,50)

>  <InChI Key>
AKWIQXGPKTWFNO-UHFFFAOYSA-N

