
 CHEMBL3361415

 99102  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3361415

>  <PubChem CID>
136998790

>  <Formula>
C38H50N6O5

>  <Molecular Weight>
670.855000

>  <IUPAC Name>
tert-butyl N-[N'-[4-[2-[(4-anilino-1-benzylpiperidin-4-yl)methylamino]-2-oxoethyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)OC(=O)NC(=NC1=CC=C(C=C1)CC(=O)NCC2(CCN(CC2)CC3=CC=CC=C3)NC4=CC=CC=C4)NC(=O)OC(C)(C)C

>  <Isomeric SMILES>
CC(C)(C)OC(=O)NC(=NC1=CC=C(C=C1)CC(=O)NCC2(CCN(CC2)CC3=CC=CC=C3)NC4=CC=CC=C4)NC(=O)OC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C38H50N6O5/c1-36(2,3)48-34(46)41-33(42-35(47)49-37(4,5)6)40-30-19-17-28(18-20-30)25-32(45)39-27-38(43-31-15-11-8-12-16-31)21-23-44(24-22-38)26-29-13-9-7-10-14-29/h7-20,43H,21-27H2,1-6H3,(H,39,45)(H2,40,41,42,46,47)

>  <InChI Key>
LDNMAXFHEGNPFK-UHFFFAOYSA-N

