
 CHEMBL2398765

 78 81  0  0  0  0  0  0  0  0999 V2000
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    8.0396    0.0252    2.0778 H   0  0  0  0  0
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    2.9976    6.6371   -3.4983 H   0  0  0  0  0
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    4.2950   -1.9691   -2.5505 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2398765

>  <PubChem CID>
57889023

>  <Formula>
C32H37ClN4O4

>  <Molecular Weight>
577.122000

>  <IUPAC Name>
3-[2-(carbamoylamino)phenyl]-N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4NC(=O)N

>  <Isomeric SMILES>
CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC(=O)C3=CC=CC(=C3)C4=CC=CC=C4NC(=O)N

>  <InChI Std. ID>
InChI=1S/C32H37ClN4O4/c1-20(2)27(29(39)37-17-16-32(41,31(3,4)19-37)23-12-14-24(33)15-13-23)36-28(38)22-9-7-8-21(18-22)25-10-5-6-11-26(25)35-30(34)40/h5-15,18,20,27,41H,16-17,19H2,1-4H3,(H,36,38)(H3,34,35,40)/t27-,32+/m1/s1

>  <InChI Key>
BMFZCZDBDSWUET-ZUKKLESISA-N

