
 CHEMBL3353483

 55 58  0  0  0  0  0  0  0  0999 V2000
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    0.6767    1.9664   -0.3586 H   0  0  0  0  0
    2.2183    1.5152    2.0861 H   0  0  0  0  0
    3.6852    1.8698    1.1752 H   0  0  0  0  0
    4.4560   -0.4637    1.3595 H   0  0  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353483

>  <PubChem CID>
70556713

>  <Formula>
C24H23ClN2O4S

>  <Molecular Weight>
470.968000

>  <IUPAC Name>
2-[[1-[2-(1-benzothiophen-3-yl)acetyl]-2-methylazetidine-2-carbonyl]-[(4-chlorophenyl)methyl]amino]acetic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)N(CC4=CC=C(C=C4)Cl)CC(=O)O

>  <Isomeric SMILES>
CC1(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)N(CC4=CC=C(C=C4)Cl)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H23ClN2O4S/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/h2-9,15H,10-14H2,1H3,(H,29,30)

>  <InChI Key>
GPRCRPLFNXQBLW-UHFFFAOYSA-N

