
 US9212196, Derivative 33

 43 43  0  0  0  0  0  0  0  0999 V2000
    0.4966   -4.1880    2.0355 C   0  0  0  0  0
    1.8638   -4.4155    2.2201 C   0  0  0  0  0
    2.8084   -3.4502    1.8533 C   0  0  0  0  0
    2.3707   -2.2464    1.2827 C   0  0  0  0  0
    0.9836   -2.0227    1.1273 C   0  0  0  0  0
    0.0382   -2.9913    1.4795 C   0  0  0  0  0
   -1.4480   -2.7506    1.3496 C   0  0  0  0  0
   -2.0580   -1.6656    0.0579 P   0  0  0  0  0
   -1.6769   -0.2250    0.2011 O   0  0  0  0  0
   -1.6987   -2.4362   -1.5111 C   0  0  0  0  0
   -2.1360   -1.6706   -2.7589 C   0  0  0  0  0
   -1.4481   -0.3166   -2.9792 C   0  0  0  0  0
    0.0710   -0.4501   -3.1669 C   0  0  0  0  0
    0.6734   -0.3977   -4.2281 O   0  0  0  0  0
    0.7315   -0.6250   -2.0066 O   0  0  0  0  0
   -2.0396    0.2996   -4.1962 N   0  0  0  0  0
   -3.6627   -1.7969    0.1842 O   0  0  0  0  0
    3.3096   -1.1520    0.8272 C   0  0  0  0  0
    3.0525   -0.7772   -0.4670 F   0  0  0  0  0
    3.1730   -0.0130    1.5650 F   0  0  0  0  0
    4.6377   -1.4474    0.8452 F   0  0  0  0  0
    4.1564   -3.5949    2.0237 O   0  0  0  0  0
    4.6306   -4.7945    2.6240 C   0  0  0  0  0
    6.1362   -4.7518    2.7803 C   0  0  0  0  0
    6.9181   -5.6213    2.4275 O   0  0  0  0  0
    6.5811   -3.6618    3.4369 O   0  0  0  0  0
   -0.2096   -4.9573    2.3450 H   0  0  0  0  0
    2.1528   -5.3635    2.6631 H   0  0  0  0  0
    0.6605   -1.0611    0.7243 H   0  0  0  0  0
   -1.8072   -2.3635    2.3106 H   0  0  0  0  0
   -1.9410   -3.7184    1.1922 H   0  0  0  0  0
   -2.2032   -3.4103   -1.5177 H   0  0  0  0  0
   -0.6306   -2.6652   -1.5692 H   0  0  0  0  0
   -3.2210   -1.5141   -2.6988 H   0  0  0  0  0
   -1.9571   -2.3172   -3.6285 H   0  0  0  0  0
   -1.6391    0.3769   -2.1581 H   0  0  0  0  0
    1.6868   -0.6143   -2.2357 H   0  0  0  0  0
   -1.7065   -0.2272   -5.0086 H   0  0  0  0  0
   -1.6210    1.2246   -4.3153 H   0  0  0  0  0
   -4.0945   -0.9171    0.2138 H   0  0  0  0  0
    4.3922   -5.6511    1.9823 H   0  0  0  0  0
    4.2056   -4.9389    3.6245 H   0  0  0  0  0
    7.5546   -3.7691    3.4593 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 37  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 43  1  0  0  0
M  END

>  <Chemical Name>
US9212196, Derivative 33

>  <PubChem CID>
122197963

>  <Formula>
C14H17F3NO7P

>  <Molecular Weight>
399.259000

>  <IUPAC Name>
(2R)-2-amino-4-[[4-(carboxymethoxy)-3-(trifluoromethyl)phenyl]methyl-hydroxyphosphoryl]butanoic acid

>  <XlogP>
-2.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CC(=C(C=C1CP(=O)(CCC(C(=O)O)N)O)C(F)(F)F)OCC(=O)O

>  <Isomeric SMILES>
C1=CC(=C(C=C1CP(=O)(CC[C@H](C(=O)O)N)O)C(F)(F)F)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C14H17F3NO7P/c15-14(16,17)9-5-8(1-2-11(9)25-6-12(19)20)7-26(23,24)4-3-10(18)13(21)22/h1-2,5,10H,3-4,6-7,18H2,(H,19,20)(H,21,22)(H,23,24)/t10-/m1/s1

>  <InChI Key>
DLGOTKZKHHEVES-SNVBAGLBSA-N

