
 CHEMBL3923129

 88 91  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3923129

>  <PubChem CID>
56640178

>  <Formula>
C32H46N4O6

>  <Molecular Weight>
582.742000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(2,5-dimethoxyphenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCC(CC1)C2=C(C=CC(=C2)OC)OC)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)C2=C(C=CC(=C2)OC)OC)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C32H46N4O6/c1-5-21(2)29(32(39)36-17-14-23(15-18-36)25-20-24(40-3)11-12-27(25)41-4)35-30(37)26(19-22-9-7-6-8-10-22)34-31(38)28-13-16-33-42-28/h11-13,16,20-23,26,29H,5-10,14-15,17-19H2,1-4H3,(H,34,38)(H,35,37)/t21-,26-,29-/m0/s1

>  <InChI Key>
HWCSFDYYGSQZCZ-VFXRXZKFSA-N

