
 CHEMBL213709

 95100  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL213709

>  <PubChem CID>
16086061

>  <Formula>
C39H45F3N4O4

>  <Molecular Weight>
690.808000

>  <IUPAC Name>
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]-1-[(2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCN1CCC(CC1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=C(C=C4)F)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)O

>  <Isomeric SMILES>
CCN1CCC(CC1)CNC(=O)[C@H]2CCCN2C(=O)[C@@H]3C[C@H](CN3C(=O)CC(C4=CC=C(C=C4)F)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)O

>  <InChI Std. ID>
InChI=1S/C39H45F3N4O4/c1-2-44-20-17-26(18-21-44)24-43-37(49)34-4-3-19-45(34)38(50)35-22-33(47)25-46(35)36(48)23-39(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)29-9-15-32(42)16-10-29/h5-16,26,33-35,47H,2-4,17-25H2,1H3,(H,43,49)/t33-,34-,35+/m1/s1

>  <InChI Key>
AOYBULVQHCLRGS-VATRIRCNSA-N

