
 CHEMBL59985

 92 97  0  0  0  0  0  0  0  0999 V2000
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   -1.9792   -3.6039    2.8960 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL59985

>  <PubChem CID>
44303652

>  <Formula>
C37H50N2O3

>  <Molecular Weight>
570.818000

>  <IUPAC Name>
2-adamantyl N-[2-methyl-1-oxo-1-(2-phenylethylamino)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]carbamate

>  <XlogP>
8.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CCC(C2=C1C=CC(=C2)CC(C)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6)(C)C)C

>  <Isomeric SMILES>
CC1(CCC(C2=C1C=CC(=C2)CC(C)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6)(C)C)C

>  <InChI Std. ID>
InChI=1S/C37H50N2O3/c1-35(2)14-15-36(3,4)31-22-25(11-12-30(31)35)23-37(5,33(40)38-16-13-24-9-7-6-8-10-24)39-34(41)42-32-28-18-26-17-27(20-28)21-29(32)19-26/h6-12,22,26-29,32H,13-21,23H2,1-5H3,(H,38,40)(H,39,41)

>  <InChI Key>
BJEDWCPPZLYQHK-UHFFFAOYSA-N

