
 CHEMBL3935419

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3935419

>  <PubChem CID>
134149057

>  <Formula>
C32H42N4O4

>  <Molecular Weight>
546.712000

>  <IUPAC Name>
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCC2(CC1)C=CC3=CC=CC=C23)NC(=O)C(CC4CCCCC4)NC(=O)C5=NOC=C5

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N1CCC2(CC1)C=CC3=CC=CC=C23)NC(=O)[C@H](CC4CCCCC4)NC(=O)C5=NOC=C5

>  <InChI Std. ID>
InChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-18-16-32(17-19-36)15-13-24-11-7-8-12-25(24)32)34-30(38)27(21-23-9-5-4-6-10-23)33-29(37)26-14-20-40-35-26/h7-8,11-15,20,22-23,27-28H,3-6,9-10,16-19,21H2,1-2H3,(H,33,37)(H,34,38)/t22-,27-,28-/m0/s1

>  <InChI Key>
GGLWYAKYKYGFMQ-FAQZDJIUSA-N

