
 CHEMBL3353504

 57 60  0  0  0  0  0  0  0  0999 V2000
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    5.6446    0.5742   -4.6446 O   0  0  0  0  0
    3.6146   -0.0453   -3.8859 O   0  0  0  0  0
    1.1155    0.3582    1.3660 H   0  0  0  0  0
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    2.2290    1.4458    0.5489 H   0  0  0  0  0
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    2.6273   -2.1736    3.0695 H   0  0  0  0  0
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    1.7794   -4.5542    1.1176 H   0  0  0  0  0
    0.3965   -5.9605   -0.7307 H   0  0  0  0  0
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  3  4  1  0  0  0
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  3 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353504

>  <PubChem CID>
118719620

>  <Formula>
C24H25ClN2O5

>  <Molecular Weight>
456.923000

>  <IUPAC Name>
2-[[1-[2-(3a,7a-dihydro-1-benzofuran-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(4-chlorophenyl)methyl]amino]acetic acid

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=COC3C2C=CC=C3)C(=O)N(CC4=CC=C(C=C4)Cl)CC(=O)O

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=COC3C2C=CC=C3)C(=O)N(CC4=CC=C(C=C4)Cl)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H25ClN2O5/c1-24(23(31)26(14-22(29)30)13-16-6-8-18(25)9-7-16)10-11-27(24)21(28)12-17-15-32-20-5-3-2-4-19(17)20/h2-9,15,19-20H,10-14H2,1H3,(H,29,30)

>  <InChI Key>
BFYOEADBZFTYBE-UHFFFAOYSA-N

