
 BDBM50290481

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50290481

>  <PubChem CID>
91934578

>  <Formula>
C30H44N6O3

>  <Molecular Weight>
536.721000

>  <IUPAC Name>
2-[4-[3-[(2R)-3-cyclohexyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]butyl]guanidine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)CC(C(=O)N2CCC3(CCC4=CC=CC=C43)CC2)N5C(=C(NC5=O)CCCCN=C(N)N)O

>  <Isomeric SMILES>
C1CCC(CC1)C[C@H](C(=O)N2CCC3(CCC4=CC=CC=C43)CC2)N5C(=C(NC5=O)CCCCN=C(N)N)O

>  <InChI Std. ID>
InChI=1S/C30H44N6O3/c31-28(32)33-17-7-6-12-24-26(37)36(29(39)34-24)25(20-21-8-2-1-3-9-21)27(38)35-18-15-30(16-19-35)14-13-22-10-4-5-11-23(22)30/h4-5,10-11,21,25,37H,1-3,6-9,12-20H2,(H,34,39)(H4,31,32,33)/t25-/m1/s1

>  <InChI Key>
ANHCIXWBJNUVMD-RUZDIDTESA-N

