
 CHEMBL1269134

 92 95  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1269134

>  <PubChem CID>
49788378

>  <Formula>
C31H50N6O5

>  <Molecular Weight>
586.778000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCC(CC1)C(=O)N2CCC(CC2)CN)NC(=O)C(CC3CCCCC3)NC(=O)C4=CC=NO4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)C(=O)N2CCC(CC2)CN)NC(=O)[C@H](CC3CCCCC3)NC(=O)C4=CC=NO4

>  <InChI Std. ID>
InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-17-12-24(13-18-37)30(40)36-15-10-23(20-32)11-16-36)35-28(38)25(19-22-7-5-4-6-8-22)34-29(39)26-9-14-33-42-26/h9,14,21-25,27H,3-8,10-13,15-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,25-,27-/m0/s1

>  <InChI Key>
BGUZNKWHYVIOKM-NOOLENRPSA-N

