
 CHEMBL302194

 83 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL302194

>  <PubChem CID>
44303515

>  <Formula>
C34H41N3O5

>  <Molecular Weight>
571.718000

>  <IUPAC Name>
2-adamantyl N-[3-[2-(dimethylcarbamoyl)-1-benzofuran-3-yl]-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(CC1=C(OC2=CC=CC=C21)C(=O)N(C)C)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <Isomeric SMILES>
CC(CC1=C(OC2=CC=CC=C21)C(=O)N(C)C)(C(=O)NCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

>  <InChI Std. ID>
InChI=1S/C34H41N3O5/c1-34(32(39)35-14-13-21-9-5-4-6-10-21,20-27-26-11-7-8-12-28(26)41-30(27)31(38)37(2)3)36-33(40)42-29-24-16-22-15-23(18-24)19-25(29)17-22/h4-12,22-25,29H,13-20H2,1-3H3,(H,35,39)(H,36,40)

>  <InChI Key>
DVHBFKHWEWARFA-UHFFFAOYSA-N

