
 BDBM50290463

 81 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50290463

>  <PubChem CID>
91261187

>  <Formula>
C28H43N7O3

>  <Molecular Weight>
525.698000

>  <IUPAC Name>
2-[3-[3-[(2R)-3-cyclohexyl-1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-5-yl]propyl]guanidine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)C(CC3CCCCC3)N4C(=C(NC4=O)CCCN=C(N)N)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)[C@@H](CC3CCCCC3)N4C(=C(NC4=O)CCCN=C(N)N)O

>  <InChI Std. ID>
InChI=1S/C28H43N7O3/c1-19-8-6-9-20(2)24(19)33-14-16-34(17-15-33)26(37)23(18-21-10-4-3-5-11-21)35-25(36)22(32-28(35)38)12-7-13-31-27(29)30/h6,8-9,21,23,36H,3-5,7,10-18H2,1-2H3,(H,32,38)(H4,29,30,31)/t23-/m1/s1

>  <InChI Key>
DLAUTKGNEBSDJQ-HSZRJFAPSA-N

