
 CHEMBL397189

 90 95  0  0  0  0  0  0  0  0999 V2000
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    3.5823    6.0345   -6.5941 H   0  0  0  0  0
    4.5648    4.6969   -4.7754 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL397189

>  <PubChem CID>
44428426

>  <Formula>
C36H46N4O4

>  <Molecular Weight>
598.788000

>  <IUPAC Name>
(4S)-3-[(3S,4R)-1-[(2S)-4-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-yl]-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CC(C(=O)N1CCC(CC1)N2CCCCC2)N3C(C(C3=O)N4C(COC4=O)C5=CC=CC=C5)C=CC6=CC=CC=C6

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N1CCC(CC1)N2CCCCC2)N3[C@@H]([C@@H](C3=O)N4[C@H](COC4=O)C5=CC=CC=C5)/C=C/C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C36H46N4O4/c1-26(2)24-31(34(41)38-22-18-29(19-23-38)37-20-10-5-11-21-37)39-30(17-16-27-12-6-3-7-13-27)33(35(39)42)40-32(25-44-36(40)43)28-14-8-4-9-15-28/h3-4,6-9,12-17,26,29-33H,5,10-11,18-25H2,1-2H3/b17-16+/t30-,31+,32-,33+/m1/s1

>  <InChI Key>
APBIHLSOTXCQRP-IVDKHPMNSA-N

