
 CHEMBL337692

 82 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL337692

>  <PubChem CID>
44353183

>  <Formula>
C34H41N3O4

>  <Molecular Weight>
555.719000

>  <IUPAC Name>
2-adamantyl 2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-(1H-indol-3-ylmethyl)pyrrolidine-1-carboxylate

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(N(C1)C(=O)OC2C3CC4CC(C3)CC2C4)(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CC=CC=C7)CO

>  <Isomeric SMILES>
C1CC(N(C1)C(=O)OC2C3CC4CC(C3)CC2C4)(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CC=CC=C7)CO

>  <InChI Std. ID>
InChI=1S/C34H41N3O4/c38-21-28(18-22-7-2-1-3-8-22)36-32(39)34(19-27-20-35-30-10-5-4-9-29(27)30)11-6-12-37(34)33(40)41-31-25-14-23-13-24(16-25)17-26(31)15-23/h1-5,7-10,20,23-26,28,31,35,38H,6,11-19,21H2,(H,36,39)

>  <InChI Key>
FFSBTDBRIVLLNZ-UHFFFAOYSA-N

