
 ALX-5407

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.8356    1.2158    0.1986 C   0  0  0  0  0
    2.9037   -0.2439    0.3281 N   0  0  0  0  0
    3.5300   -0.8208   -0.8793 C   0  0  0  0  0
    3.1117   -2.2724   -1.1440 C   0  0  0  0  0
    3.6443   -2.7984   -2.4938 C   0  0  0  0  0
    5.1655   -2.8976   -2.4977 C   0  0  0  0  0
    5.8277   -3.9054   -1.7733 C   0  0  0  0  0
    7.2215   -3.9741   -1.7603 C   0  0  0  0  0
    7.9589   -3.0333   -2.4668 C   0  0  0  0  0
    7.3294   -2.0275   -3.1898 C   0  0  0  0  0
    5.9347   -1.9598   -3.2085 C   0  0  0  0  0
    9.2969   -3.0951   -2.4503 F   0  0  0  0  0
    3.1367   -4.1274   -2.7237 O   0  0  0  0  0
    1.8964   -4.1853   -3.2941 C   0  0  0  0  0
    0.9525   -4.9857   -2.6582 C   0  0  0  0  0
   -0.3282   -5.1278   -3.2012 C   0  0  0  0  0
   -0.6879   -4.4849   -4.3984 C   0  0  0  0  0
    0.2939   -3.7055   -5.0365 C   0  0  0  0  0
    1.5792   -3.5671   -4.4992 C   0  0  0  0  0
   -2.0421   -4.6348   -4.9705 C   0  0  0  0  0
   -3.1885   -4.5640   -4.1590 C   0  0  0  0  0
   -4.4706   -4.7107   -4.6976 C   0  0  0  0  0
   -4.6331   -4.9260   -6.0628 C   0  0  0  0  0
   -3.5149   -4.9973   -6.8882 C   0  0  0  0  0
   -2.2335   -4.8558   -6.3462 C   0  0  0  0  0
    3.6537   -0.5805    1.5642 C   0  0  0  0  0
    3.3273   -1.9715    2.0765 C   0  0  0  0  0
    2.2439   -2.3834    2.4601 O   0  0  0  0  0
    4.4009   -2.7913    2.0902 O   0  0  0  0  0
    2.3354    1.6587    1.0672 H   0  0  0  0  0
    2.2361    1.4979   -0.6744 H   0  0  0  0  0
    3.8289    1.6682    0.0998 H   0  0  0  0  0
    4.6208   -0.7212   -0.8302 H   0  0  0  0  0
    3.2104   -0.2434   -1.7574 H   0  0  0  0  0
    2.0156   -2.3329   -1.1446 H   0  0  0  0  0
    3.4426   -2.9394   -0.3430 H   0  0  0  0  0
    3.3428   -2.1169   -3.2978 H   0  0  0  0  0
    5.2544   -4.6473   -1.2203 H   0  0  0  0  0
    7.7329   -4.7542   -1.2058 H   0  0  0  0  0
    7.9283   -1.3040   -3.7338 H   0  0  0  0  0
    5.4540   -1.1670   -3.7773 H   0  0  0  0  0
    1.2085   -5.4994   -1.7356 H   0  0  0  0  0
   -1.0422   -5.7652   -2.6838 H   0  0  0  0  0
    0.0641   -3.1928   -5.9684 H   0  0  0  0  0
    2.3198   -2.9935   -5.0473 H   0  0  0  0  0
   -3.0932   -4.3810   -3.0905 H   0  0  0  0  0
   -5.3404   -4.6537   -4.0484 H   0  0  0  0  0
   -5.6290   -5.0390   -6.4826 H   0  0  0  0  0
   -3.6358   -5.1678   -7.9547 H   0  0  0  0  0
   -1.3774   -4.9350   -7.0131 H   0  0  0  0  0
    3.3762    0.0929    2.3860 H   0  0  0  0  0
    4.7363   -0.4673    1.4278 H   0  0  0  0  0
    4.0291   -3.6390    2.4132 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 26  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5 13  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 41  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 24 25  2  0  0  0
 24 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
ALX-5407

>  <PubChem CID>
6604909

>  <Formula>
C24H24FNO3

>  <Molecular Weight>
393.458000

>  <IUPAC Name>
2-[[(3R)-3-(4-fluorophenyl)-3-(4-phenylphenoxy)propyl]-methylamino]acetic acid

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CCC(C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O

>  <Isomeric SMILES>
CN(CC[C@H](C1=CC=C(C=C1)F)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1

>  <InChI Key>
FDORQEIHOKEJNX-HSZRJFAPSA-N

