
 CHEMBL3895158

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3895158

>  <PubChem CID>
56640107

>  <Formula>
C31H44N4O5

>  <Molecular Weight>
552.716000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[4-(4-methoxyphenyl)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>
6

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

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

>  <InChI Std. ID>
InChI=1S/C31H44N4O5/c1-4-21(2)28(31(38)35-18-15-24(16-19-35)23-10-12-25(39-3)13-11-23)34-29(36)26(20-22-8-6-5-7-9-22)33-30(37)27-14-17-32-40-27/h10-14,17,21-22,24,26,28H,4-9,15-16,18-20H2,1-3H3,(H,33,37)(H,34,36)/t21-,26-,28-/m0/s1

>  <InChI Key>
KLXCDIIZBLXGKF-PTJQVGQKSA-N

