
 US9212196, Derivative 34

 44 44  0  0  0  0  0  0  0  0999 V2000
    2.3353   -0.4983    0.6511 C   0  0  0  0  0
    1.9025    0.7771    0.1958 O   0  0  0  0  0
    2.8110    1.7978    0.3112 C   0  0  0  0  0
    2.2871    3.0929    0.4290 C   0  0  0  0  0
    3.1591    4.1743    0.5635 C   0  0  0  0  0
    4.5382    3.9943    0.5237 C   0  0  0  0  0
    5.0706    2.7138    0.3414 C   0  0  0  0  0
    4.1989    1.6167    0.2520 C   0  0  0  0  0
    6.5638    2.5086    0.2871 C   0  0  0  0  0
    7.3749    2.1204    1.8346 P   0  0  0  0  0
    6.8943    0.8862    2.5336 O   0  0  0  0  0
    9.1342    2.1494    1.5108 C   0  0  0  0  0
    9.9821    1.9419    2.7621 C   0  0  0  0  0
   11.4861    1.9847    2.4850 C   0  0  0  0  0
   12.2400    1.8769    3.8152 C   0  0  0  0  0
   12.3251    2.7501    4.6644 O   0  0  0  0  0
   12.7883    0.6613    4.0332 O   0  0  0  0  0
   11.8747    0.9009    1.5529 N   0  0  0  0  0
    7.1400    3.4241    2.7573 O   0  0  0  0  0
    2.6852    5.4166    0.7426 F   0  0  0  0  0
    0.9217    3.2259    0.4795 O   0  0  0  0  0
    0.4240    4.2215   -0.4099 C   0  0  0  0  0
   -1.0033    3.8983   -0.8022 C   0  0  0  0  0
   -1.9376    4.6856   -0.8237 O   0  0  0  0  0
   -1.1793    2.6292   -1.2249 O   0  0  0  0  0
    2.8116   -0.4365    1.6356 H   0  0  0  0  0
    3.0014   -0.9655   -0.0807 H   0  0  0  0  0
    1.4501   -1.1347    0.7481 H   0  0  0  0  0
    5.1841    4.8602    0.6412 H   0  0  0  0  0
    4.6212    0.6230    0.1253 H   0  0  0  0  0
    7.0304    3.4060   -0.1379 H   0  0  0  0  0
    6.7831    1.7051   -0.4271 H   0  0  0  0  0
    9.3919    3.1060    1.0426 H   0  0  0  0  0
    9.3431    1.3648    0.7757 H   0  0  0  0  0
    9.7080    0.9886    3.2328 H   0  0  0  0  0
    9.7240    2.7155    3.4964 H   0  0  0  0  0
   11.7689    2.9379    2.0249 H   0  0  0  0  0
   13.1822    0.7364    4.9286 H   0  0  0  0  0
   11.7702    0.0146    2.0569 H   0  0  0  0  0
   12.8817    0.9667    1.3923 H   0  0  0  0  0
    7.1580    3.2141    3.7135 H   0  0  0  0  0
    1.0099    4.2923   -1.3352 H   0  0  0  0  0
    0.4134    5.1898    0.1012 H   0  0  0  0  0
   -2.1346    2.5700   -1.4289 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 19  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 41  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
US9212196, Derivative 34

>  <PubChem CID>
122197964

>  <Formula>
C14H19FNO8P

>  <Molecular Weight>
379.277000

>  <IUPAC Name>
(2R)-2-amino-4-[[4-(carboxymethoxy)-3-fluoro-5-methoxyphenyl]methyl-hydroxyphosphoryl]butanoic acid

>  <XlogP>
-3.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=C(C(=CC(=C1)CP(=O)(CCC(C(=O)O)N)O)F)OCC(=O)O

>  <Isomeric SMILES>
COC1=C(C(=CC(=C1)CP(=O)(CC[C@H](C(=O)O)N)O)F)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C14H19FNO8P/c1-23-11-5-8(4-9(15)13(11)24-6-12(17)18)7-25(21,22)3-2-10(16)14(19)20/h4-5,10H,2-3,6-7,16H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t10-/m1/s1

>  <InChI Key>
HLWOFNYCURCWQU-SNVBAGLBSA-N

