
 CHEMBL3901521

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3901521

>  <PubChem CID>
89697608

>  <Formula>
C30H38N4O5

>  <Molecular Weight>
534.657000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C30H38N4O5/c1-20(35)26(29(38)34-17-14-30(15-18-34)13-11-22-9-5-6-10-23(22)30)33-27(36)24(19-21-7-3-2-4-8-21)32-28(37)25-12-16-31-39-25/h5-6,9-13,16,20-21,24,26,35H,2-4,7-8,14-15,17-19H2,1H3,(H,32,37)(H,33,36)/t20-,24+,26+/m1/s1

>  <InChI Key>
JEUFCDHSENONPA-PSUQPPDWSA-N

