
 HAMI3379

 88 91  0  0  0  0  0  0  0  0999 V2000
    5.7503   -8.0249    4.1634 C   0  0  0  0  0
    5.1720   -6.9895    3.2029 C   0  0  0  0  0
    3.9746   -7.5504    2.4363 C   0  0  0  0  0
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    1.4587   -6.1443    3.5147 C   0  0  0  0  0
    0.9229   -5.1145    4.5064 C   0  0  0  0  0
    2.0471   -4.2819    5.1356 C   0  0  0  0  0
    1.5107   -3.1887    6.0595 C   0  0  0  0  0
    0.7089   -3.7267    7.1088 O   0  0  0  0  0
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    0.8659   -4.7787   10.5709 C   0  0  0  0  0
    2.2377   -4.8163   10.8470 C   0  0  0  0  0
    3.1349   -4.4734    9.8281 C   0  0  0  0  0
    2.6703   -4.1020    8.5577 C   0  0  0  0  0
    2.7282   -5.2201   12.2173 C   0  0  0  0  0
    2.4438   -6.6928   12.5125 C   0  0  0  0  0
    2.7762   -7.0708   13.9530 C   0  0  0  0  0
    2.4172   -8.4338   14.2030 O   0  0  0  0  0
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    0.8142  -13.2515    7.1029 O   0  0  0  0  0
    6.1947   -8.8451    3.5863 H   0  0  0  0  0
    6.5585   -7.5735    4.7496 H   0  0  0  0  0
    5.9461   -6.6727    2.4946 H   0  0  0  0  0
    4.8693   -6.0960    3.7629 H   0  0  0  0  0
    3.5828   -6.7699    1.7766 H   0  0  0  0  0
    4.3115   -8.3703    1.7896 H   0  0  0  0  0
    2.0722   -8.5304    2.8091 H   0  0  0  0  0
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    4.3660   -7.8045    5.8003 H   0  0  0  0  0
    5.1187   -9.3923    5.7069 H   0  0  0  0  0
    0.6244   -6.7201    3.0984 H   0  0  0  0  0
    1.9751   -5.6307    2.6983 H   0  0  0  0  0
    0.3749   -5.6366    5.3002 H   0  0  0  0  0
    0.2135   -4.4563    3.9908 H   0  0  0  0  0
    2.6462   -3.8149    4.3453 H   0  0  0  0  0
    2.7110   -4.9454    5.6996 H   0  0  0  0  0
    0.8553   -2.5282    5.4786 H   0  0  0  0  0
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    0.1410   -5.0360   11.3390 H   0  0  0  0  0
    4.2080   -4.4941   10.0090 H   0  0  0  0  0
    3.4068   -3.8580    7.8002 H   0  0  0  0  0
    2.2418   -4.5783   12.9618 H   0  0  0  0  0
    3.8054   -5.0314   12.3044 H   0  0  0  0  0
    3.0089   -7.3267   11.8175 H   0  0  0  0  0
    1.3861   -6.9235   12.3348 H   0  0  0  0  0
    2.1589   -6.4670   14.6286 H   0  0  0  0  0
    3.8126   -6.8380   14.2099 H   0  0  0  0  0
    3.1837  -12.6849   12.8170 H   0  0  0  0  0
    6.6079  -10.2117   13.6521 H   0  0  0  0  0
    5.1489   -8.3666   14.2779 H   0  0  0  0  0
    6.0317  -14.4114   12.2383 H   0  0  0  0  0
    0.1421  -12.2552   12.7183 H   0  0  0  0  0
   -0.7627  -10.3764   11.8464 H   0  0  0  0  0
    1.3470   -9.0543   11.4841 H   0  0  0  0  0
    0.2333   -9.0336   10.1352 H   0  0  0  0  0
    2.5035   -9.3071    9.3050 H   0  0  0  0  0
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    2.2960  -11.4534    8.0797 H   0  0  0  0  0
    1.3705  -12.9013    9.8580 H   0  0  0  0  0
   -1.1812  -11.2161    9.6314 H   0  0  0  0  0
   -0.9554  -12.6061   10.6793 H   0  0  0  0  0
    0.3083  -13.8708    6.5359 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 44  1  0  0  0
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  7  8  1  0  0  0
  8  9  1  0  0  0
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 43 88  1  0  0  0
M  END

>  <Chemical Name>
HAMI3379

>  <PubChem CID>
10438479

>  <Formula>
C34H45NO8

>  <Molecular Weight>
595.733000

>  <IUPAC Name>
3-[(3-carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCC(CC1)OCCCCOC2=CC=C(C=C2)CCCOC3=C(C=C(C=C3)C(=O)O)C(=O)NC4CCCC(C4)C(=O)O

>  <Isomeric SMILES>
C1CCC(CC1)OCCCCOC2=CC=C(C=C2)CCCOC3=C(C=C(C=C3)C(=O)O)C(=O)NC4CCCC(C4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)

>  <InChI Key>
HRJWSEPIRZRGCL-UHFFFAOYSA-N

