
 BDBM85347

 70 72  0  0  0  0  0  0  0  0999 V2000
   -2.2900   -1.6791    7.7814 C   0  0  0  0  0
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   -5.2475   -3.2991    3.3151 H   0  0  0  0  0
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   -6.3449   -8.2033    4.2421 H   0  0  0  0  0
   -6.4884  -11.0229    2.3309 H   0  0  0  0  0
   -0.8396    0.2003    3.7219 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  4  1  0  0  0
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  6 43  1  0  0  0
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  7 33  1  0  0  0
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 32 69  1  0  0  0
 33 70  1  0  0  0
M  END

>  <Chemical Name>
BDBM85347

>  <PubChem CID>
53929690

>  <Formula>
C25H37N3O5

>  <Molecular Weight>
459.587000

>  <IUPAC Name>
7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-5-hydroxy-2-oxoimidazol-4-yl]heptanoic acid

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(CC1)C(CNN2C(=C(N(C2=O)CC3=CC=CC=C3)O)CCCCCCC(=O)O)O

>  <Isomeric SMILES>
C1CCC(CC1)C(CNN2C(=C(N(C2=O)CC3=CC=CC=C3)O)CCCCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20,22,26,29,32H,1-2,4,7-10,13-18H2,(H,30,31)

>  <InChI Key>
IQGCWGWYFUFAJY-UHFFFAOYSA-N

