
 CHEMBL215180

 89 94  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL215180

>  <PubChem CID>
16086059

>  <Formula>
C37H41F3N4O4

>  <Molecular Weight>
662.754000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C2CC(CN2C(=O)CC(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O)C(=O)NCC6CCNCC6

>  <Isomeric SMILES>
C1C[C@@H](N(C1)C(=O)[C@@H]2C[C@H](CN2C(=O)CC(C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O)C(=O)NCC6CCNCC6

>  <InChI Std. ID>
InChI=1S/C37H41F3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1

>  <InChI Key>
CNPFYHSXAKKLOF-SLGZMBILSA-N

