
 CHEMBL119550

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL119550

>  <PubChem CID>
10813802

>  <Formula>
C29H33NO4

>  <Molecular Weight>
459.586000

>  <IUPAC Name>
(Z)-7-[(1S,3S,4R,5R)-4-(dibenzofuran-2-carbonylamino)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(C2CC(C(C1C2)NC(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54)CC=CCCCC(=O)O)C

>  <Isomeric SMILES>
CC1([C@H]2C[C@@H]([C@H]([C@@H]1C2)NC(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54)C/C=C\CCCC(=O)O)C

>  <InChI Std. ID>
InChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1

>  <InChI Key>
CVLLFECJXVDQEK-LGNCZSJASA-N

