
 CHEMBL3902619

 89 94  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3902619

>  <PubChem CID>
89697553

>  <Formula>
C35H46N4O4

>  <Molecular Weight>
586.777000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S)-3-cyclohexyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
7.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)CC(C(=O)NC(CC2CCCCC2)C(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)NC(=O)C6=CC=NO6

>  <Isomeric SMILES>
C1CCC(CC1)C[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)NC(=O)C6=CC=NO6

>  <InChI Std. ID>
InChI=1S/C35H46N4O4/c40-32(29(23-25-9-3-1-4-10-25)37-33(41)31-16-20-36-43-31)38-30(24-26-11-5-2-6-12-26)34(42)39-21-18-35(19-22-39)17-15-27-13-7-8-14-28(27)35/h7-8,13-17,20,25-26,29-30H,1-6,9-12,18-19,21-24H2,(H,37,41)(H,38,40)/t29-,30-/m0/s1

>  <InChI Key>
BJPKJJOYMBHWQP-KYJUHHDHSA-N

