
 CHEMBL215894

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

>  <Chemical Name>
CHEMBL215894

>  <PubChem CID>
16086067

>  <Formula>
C37H41Cl3N4O4

>  <Molecular Weight>
712.109000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CNC1)CNC(=O)C2CCCN2C(=O)C3CC(CN3C(=O)CC(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)O

>  <Isomeric SMILES>
C1C[C@H](CNC1)CNC(=O)[C@H]2CCCN2C(=O)[C@@H]3C[C@H](CN3C(=O)CC(C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)O

>  <InChI Std. ID>
InChI=1S/C37H41Cl3N4O4/c38-28-11-5-25(6-12-28)37(26-7-13-29(39)14-8-26,27-9-15-30(40)16-10-27)20-34(46)44-23-31(45)19-33(44)36(48)43-18-2-4-32(43)35(47)42-22-24-3-1-17-41-21-24/h5-16,24,31-33,41,45H,1-4,17-23H2,(H,42,47)/t24-,31-,32-,33+/m1/s1

>  <InChI Key>
AFAZXESEAHMGAC-BMSWWXRLSA-N

