
 CHEMBL3897838

 82 86  0  0  0  0  0  0  0  0999 V2000
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    8.1958   -0.8900    0.9746 H   0  0  0  0  0
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   10.3389   -0.7801   -2.1631 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3897838

>  <PubChem CID>
134133951

>  <Formula>
C32H42N4O4

>  <Molecular Weight>
546.712000

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

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C(C(=O)N1CCC2(CC1)C=CC3=CC=CC=C23)NC(=O)C(CC4CCCCC4)NC(=O)C5=CC=NO5

>  <Isomeric SMILES>
CC(C)(C)[C@@H](C(=O)N1CCC2(CC1)C=CC3=CC=CC=C23)NC(=O)[C@H](CC4CCCCC4)NC(=O)C5=CC=NO5

>  <InChI Std. ID>
InChI=1S/C32H42N4O4/c1-31(2,3)27(30(39)36-19-16-32(17-20-36)15-13-23-11-7-8-12-24(23)32)35-28(37)25(21-22-9-5-4-6-10-22)34-29(38)26-14-18-33-40-26/h7-8,11-15,18,22,25,27H,4-6,9-10,16-17,19-21H2,1-3H3,(H,34,38)(H,35,37)/t25-,27+/m0/s1

>  <InChI Key>
DSBJWFRQCLUNQW-AHKZPQOWSA-N

