
 CHEMBL244389

 97102  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL244389

>  <PubChem CID>
44428547

>  <Formula>
C40H44F3N5O5

>  <Molecular Weight>
731.817000

>  <IUPAC Name>
(2R)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-5-(4-propan-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pentanamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)N1CCN(CC1)C(=O)CCC(C(=O)NCC2=CC(=CC=C2)C(F)(F)F)N3C(C(C3=O)N4C(COC4=O)C5=CC=CC=C5)C=CC6=CC=CC=C6

>  <Isomeric SMILES>
CC(C)N1CCN(CC1)C(=O)CC[C@H](C(=O)NCC2=CC(=CC=C2)C(F)(F)F)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/C40H44F3N5O5/c1-27(2)45-20-22-46(23-21-45)35(49)19-18-33(37(50)44-25-29-12-9-15-31(24-29)40(41,42)43)47-32(17-16-28-10-5-3-6-11-28)36(38(47)51)48-34(26-53-39(48)52)30-13-7-4-8-14-30/h3-17,24,27,32-34,36H,18-23,25-26H2,1-2H3,(H,44,50)/b17-16+/t32-,33-,34-,36+/m1/s1

>  <InChI Key>
BRGWNGLOWPEQOP-MVJLNBOHSA-N

