
 BDBM50290485

 75 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50290485

>  <PubChem CID>
91934582

>  <Formula>
C29H36N6O4

>  <Molecular Weight>
532.645000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2(CCN(CC2)C(=O)C(CC3=CC=C(C=C3)O)N4C(=C(NC4=O)CCCN=C(N)N)O)C5=CC=CC=C51

>  <Isomeric SMILES>
C1CC2(CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)O)N4C(=C(NC4=O)CCCN=C(N)N)O)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C29H36N6O4/c30-27(31)32-15-3-6-23-25(37)35(28(39)33-23)24(18-19-7-9-21(36)10-8-19)26(38)34-16-13-29(14-17-34)12-11-20-4-1-2-5-22(20)29/h1-2,4-5,7-10,24,36-37H,3,6,11-18H2,(H,33,39)(H4,30,31,32)/t24-/m1/s1

>  <InChI Key>
BKRPHWPSTZZSOG-XMMPIXPASA-N

