
 CHEMBL3352907

 95 97  0  0  0  0  0  0  0  0999 V2000
   12.4063    3.1732   -1.6955 C   0  0  0  0  0
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    4.8901   -1.4881   -2.7550 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3352907

>  <PubChem CID>
118724972

>  <Formula>
C34H50N6O5

>  <Molecular Weight>
622.811000

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

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)OC(=O)NC(=NCCCC(=O)NCC1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3)NC(=O)OC(C)(C)C

>  <Isomeric SMILES>
CC(C)(C)OC(=O)NC(=NCCCC(=O)NCC1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3)NC(=O)OC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C34H50N6O5/c1-32(2,3)44-30(42)37-29(38-31(43)45-33(4,5)6)35-21-13-18-28(41)36-25-34(39-27-16-11-8-12-17-27)19-22-40(23-20-34)24-26-14-9-7-10-15-26/h7-12,14-17,39H,13,18-25H2,1-6H3,(H,36,41)(H2,35,37,38,42,43)

>  <InChI Key>
GMNZKAGDHITNRZ-UHFFFAOYSA-N

