
 CHEMBL3969571

 73 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3969571

>  <PubChem CID>
89799793

>  <Formula>
C28H33F6N3O3

>  <Molecular Weight>
573.580000

>  <IUPAC Name>
(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(C)C(C)(C)CO)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN(C)C(C)(C)CO)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C28H33F6N3O3/c1-16-8-7-9-17(2)22(16)37-14-26(18(3)23(37)39,13-36(6)25(4,5)15-38)24(40)35-21-11-19(27(29,30)31)10-20(12-21)28(32,33)34/h7-12,18,38H,13-15H2,1-6H3,(H,35,40)/t18-,26-/m1/s1

>  <InChI Key>
GACORIZPPZNKIM-WXTAPIANSA-N

