
 US9212196, Derivative 14

 43 43  0  0  0  0  0  0  0  0999 V2000
   -5.1437   -3.2896    1.5861 C   0  0  0  0  0
   -4.9517   -4.2719    2.5627 C   0  0  0  0  0
   -4.3742   -3.9484    3.7897 C   0  0  0  0  0
   -3.9706   -2.6361    4.0256 C   0  0  0  0  0
   -4.1579   -1.6523    3.0480 C   0  0  0  0  0
   -4.7372   -1.9665    1.8118 C   0  0  0  0  0
   -4.9760   -0.9153    0.7525 C   0  0  0  0  0
   -6.2468   -0.2899    1.0070 O   0  0  0  0  0
   -3.7845    0.4397    0.5807 P   0  0  0  0  0
   -3.6646    1.3150    1.7962 O   0  0  0  0  0
   -2.2318   -0.2099   -0.0191 C   0  0  0  0  0
   -2.2915   -0.8382   -1.4117 C   0  0  0  0  0
   -0.9567   -1.3845   -1.9275 C   0  0  0  0  0
    0.0641   -0.2552   -2.1197 C   0  0  0  0  0
    0.0345    0.6047   -2.9834 O   0  0  0  0  0
    1.0321   -0.2373   -1.1729 O   0  0  0  0  0
   -0.4402   -2.4472   -1.0336 N   0  0  0  0  0
   -4.3635    1.3049   -0.6586 O   0  0  0  0  0
   -4.2277   -4.9889    4.6645 O   0  0  0  0  0
   -4.1591   -4.6272    6.0469 C   0  0  0  0  0
   -4.1138   -6.1404    6.9960 P   0  0  0  0  0
   -5.1895   -7.1610    6.8208 O   0  0  0  0  0
   -2.6537   -6.7746    6.7967 O   0  0  0  0  0
   -4.0114   -5.6822    8.5326 O   0  0  0  0  0
   -5.6209   -3.5685    0.6482 H   0  0  0  0  0
   -5.2692   -5.2936    2.3686 H   0  0  0  0  0
   -3.4929   -2.3406    4.9541 H   0  0  0  0  0
   -3.8407   -0.6380    3.2828 H   0  0  0  0  0
   -5.0539   -1.3968   -0.2278 H   0  0  0  0  0
   -6.2462   -0.0469    1.9522 H   0  0  0  0  0
   -1.8707   -0.9374    0.7154 H   0  0  0  0  0
   -1.5156    0.6193   -0.0251 H   0  0  0  0  0
   -2.6664   -0.0886   -2.1189 H   0  0  0  0  0
   -3.0318   -1.6469   -1.4070 H   0  0  0  0  0
   -1.1108   -1.8400   -2.9128 H   0  0  0  0  0
    1.5642    0.5539   -1.4000 H   0  0  0  0  0
    0.0037   -1.9844   -0.2338 H   0  0  0  0  0
    0.3436   -2.9031   -1.5048 H   0  0  0  0  0
   -5.2387    1.6965   -0.4557 H   0  0  0  0  0
   -5.0443   -4.0468    6.3318 H   0  0  0  0  0
   -3.2455   -4.0630    6.2607 H   0  0  0  0  0
   -2.5954   -7.6958    7.1085 H   0  0  0  0  0
   -4.1666   -6.4196    9.1514 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  9 18  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 24  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
US9212196, Derivative 14

>  <PubChem CID>
122197946

>  <Formula>
C12H19NO9P2

>  <Molecular Weight>
383.230000

>  <IUPAC Name>
(2R)-2-amino-4-[hydroxy-[hydroxy-[4-(phosphonomethoxy)phenyl]methyl]phosphoryl]butanoic acid

>  <XlogP>
-5.2

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1=CC(=CC=C1C(O)P(=O)(CCC(C(=O)O)N)O)OCP(=O)(O)O

>  <Isomeric SMILES>
C1=CC(=CC=C1C(O)P(=O)(CC[C@H](C(=O)O)N)O)OCP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C12H19NO9P2/c13-10(11(14)15)5-6-23(17,18)12(16)8-1-3-9(4-2-8)22-7-24(19,20)21/h1-4,10,12,16H,5-7,13H2,(H,14,15)(H,17,18)(H2,19,20,21)/t10-,12?/m1/s1

>  <InChI Key>
NOROSKGWRWLDSW-RWANSRKNSA-N

