
 AM966

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.1273    1.7600    0.8740 C   0  0  0  0  0
    3.3697    0.9896    0.6270 C   0  0  0  0  0
    4.5326    1.6495    0.6925 N   0  0  0  0  0
    5.5135    0.7229    0.4376 O   0  0  0  0  0
    4.9558   -0.4993    0.2189 C   0  0  0  0  0
    3.5759   -0.3878    0.3046 C   0  0  0  0  0
    2.7080   -1.4534    0.1115 N   0  0  0  0  0
    1.3700   -1.4916    0.3691 C   0  0  0  0  0
    0.6418   -0.5741    0.7078 O   0  0  0  0  0
    0.9566   -2.7810    0.2585 O   0  0  0  0  0
   -0.3092   -3.0754    0.8773 C   0  0  0  0  0
   -0.8050   -4.4163    0.3418 C   0  0  0  0  0
   -0.2166   -3.0986    2.3988 C   0  0  0  0  0
   -1.2898   -2.5400    3.1239 C   0  0  0  0  0
   -1.2774   -2.4942    4.5197 C   0  0  0  0  0
   -0.1900   -3.0000    5.2219 C   0  0  0  0  0
    0.8749   -3.5699    4.5278 C   0  0  0  0  0
    0.8603   -3.6342    3.1287 C   0  0  0  0  0
    2.2161   -4.4069    2.3817 Cl  0  0  0  0  0
    5.9206   -1.5743    0.0080 C   0  0  0  0  0
    7.1126   -1.3380   -0.6887 C   0  0  0  0  0
    8.0568   -2.3585   -0.8751 C   0  0  0  0  0
    7.8496   -3.6512   -0.3668 C   0  0  0  0  0
    6.6547   -3.8736    0.3398 C   0  0  0  0  0
    5.7086   -2.8558    0.5267 C   0  0  0  0  0
    8.8479   -4.7299   -0.5518 C   0  0  0  0  0
    8.4530   -6.0581   -0.7905 C   0  0  0  0  0
    9.3906   -7.0856   -0.9476 C   0  0  0  0  0
   10.7602   -6.8129   -0.8877 C   0  0  0  0  0
   11.1720   -5.4984   -0.6510 C   0  0  0  0  0
   10.2291   -4.4757   -0.4848 C   0  0  0  0  0
   11.7676   -7.9237   -1.0400 C   0  0  0  0  0
   12.1865   -8.5218    0.2791 C   0  0  0  0  0
   12.7059   -7.9399    1.2163 O   0  0  0  0  0
   11.9540   -9.8491    0.3503 O   0  0  0  0  0
    1.4529    1.6986    0.0147 H   0  0  0  0  0
    2.3424    2.8220    1.0383 H   0  0  0  0  0
    1.6190    1.3979    1.7725 H   0  0  0  0  0
    3.1077   -2.3489   -0.1350 H   0  0  0  0  0
   -1.0344   -2.3150    0.5570 H   0  0  0  0  0
   -0.0867   -5.2206    0.5315 H   0  0  0  0  0
   -0.9349   -4.3627   -0.7447 H   0  0  0  0  0
   -1.7639   -4.6972    0.7903 H   0  0  0  0  0
   -2.1479   -2.1219    2.5991 H   0  0  0  0  0
   -2.1147   -2.0539    5.0565 H   0  0  0  0  0
   -0.1704   -2.9532    6.3080 H   0  0  0  0  0
    1.7203   -3.9657    5.0866 H   0  0  0  0  0
    7.3253   -0.3502   -1.0945 H   0  0  0  0  0
    8.9613   -2.1242   -1.4327 H   0  0  0  0  0
    6.4549   -4.8466    0.7851 H   0  0  0  0  0
    4.8271   -3.0795    1.1216 H   0  0  0  0  0
    7.3978   -6.3126   -0.8647 H   0  0  0  0  0
    9.0369   -8.1004   -1.1190 H   0  0  0  0  0
   12.2312   -5.2578   -0.5781 H   0  0  0  0  0
   10.5947   -3.4714   -0.2793 H   0  0  0  0  0
   12.6681   -7.5636   -1.5513 H   0  0  0  0  0
   11.3547   -8.7091   -1.6852 H   0  0  0  0  0
   12.2651  -10.0909    1.2482 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
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 16 17  1  0  0  0
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 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 26 27  2  0  0  0
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 27 28  1  0  0  0
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 31 55  1  0  0  0
 32 33  1  0  0  0
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 33 35  1  0  0  0
 33 34  2  0  0  0
 35 58  1  0  0  0
M  END

>  <Chemical Name>
AM966

>  <PubChem CID>
46240292

>  <Formula>
C27H23ClN2O5

>  <Molecular Weight>
490.940000

>  <IUPAC Name>
2-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O

>  <Isomeric SMILES>
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H23ClN2O5/c1-16-25(29-27(33)34-17(2)22-5-3-4-6-23(22)28)26(35-30-16)21-13-11-20(12-14-21)19-9-7-18(8-10-19)15-24(31)32/h3-14,17H,15H2,1-2H3,(H,29,33)(H,31,32)/t17-/m1/s1

>  <InChI Key>
WWQTWEWAPUCDDZ-QGZVFWFLSA-N

