
 CHEMBL3353527

 67 70  0  0  0  0  0  0  0  0999 V2000
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    1.3421   -1.7450   -0.3849 H   0  0  0  0  0
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  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353527

>  <PubChem CID>
70558983

>  <Formula>
C28H32N2O5

>  <Molecular Weight>
476.573000

>  <IUPAC Name>
4-[1-benzofuran-6-ylmethyl-[1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carbonyl]amino]butanoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCCC(=O)O)CC3=CC4=C(C=C3)C=CO4)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)CC(=O)N2CCC2(C)C(=O)N(CCCC(=O)O)CC3=CC4=C(C=C3)C=CO4)C

>  <InChI Std. ID>
InChI=1S/C28H32N2O5/c1-19-13-20(2)15-22(14-19)17-25(31)30-11-9-28(30,3)27(34)29(10-4-5-26(32)33)18-21-6-7-23-8-12-35-24(23)16-21/h6-8,12-16H,4-5,9-11,17-18H2,1-3H3,(H,32,33)

>  <InChI Key>
BLPHZINRBPJFLG-UHFFFAOYSA-N

