
 US9212196, Derivative 19

 48 48  0  0  0  0  0  0  0  0999 V2000
    2.5812    1.7116    2.7880 C   0  0  0  0  0
    2.7516    0.9271    1.4978 C   0  0  0  0  0
    3.2744    1.7673    0.4615 O   0  0  0  0  0
    4.6438    1.8262    0.4592 C   0  0  0  0  0
    5.2656    3.0642    0.6355 C   0  0  0  0  0
    6.6580    3.1503    0.6386 C   0  0  0  0  0
    7.4284    2.0097    0.4023 C   0  0  0  0  0
    6.8152    0.7694    0.1681 C   0  0  0  0  0
    5.4138    0.6915    0.1924 C   0  0  0  0  0
    7.6463   -0.4593   -0.0996 C   0  0  0  0  0
    7.4214   -1.4106    0.9536 O   0  0  0  0  0
    7.3821   -1.3097   -1.6750 P   0  0  0  0  0
    5.9980   -1.7953   -1.9776 O   0  0  0  0  0
    8.1441   -0.3187   -2.9534 C   0  0  0  0  0
    8.1612   -0.9969   -4.3215 C   0  0  0  0  0
    8.8070   -0.1356   -5.4099 C   0  0  0  0  0
   10.3197   -0.0032   -5.1719 C   0  0  0  0  0
   10.8604    0.7445   -4.3728 O   0  0  0  0  0
   11.0606   -0.8713   -5.8982 O   0  0  0  0  0
    8.5429   -0.7616   -6.7275 N   0  0  0  0  0
    8.3656   -2.5948   -1.5473 O   0  0  0  0  0
    4.5025    4.1696    0.9110 O   0  0  0  0  0
    4.5424    5.1198   -0.1465 C   0  0  0  0  0
    3.7133    4.7564   -1.3656 C   0  0  0  0  0
    4.1453    4.5031   -2.4802 O   0  0  0  0  0
    2.3853    4.7730   -1.1310 O   0  0  0  0  0
    2.0980    1.0964    3.5526 H   0  0  0  0  0
    1.9752    2.6072    2.6184 H   0  0  0  0  0
    3.5491    2.0460    3.1745 H   0  0  0  0  0
    1.7680    0.5850    1.1575 H   0  0  0  0  0
    3.3544    0.0277    1.6683 H   0  0  0  0  0
    7.1497    4.0975    0.8411 H   0  0  0  0  0
    8.5133    2.0977    0.4148 H   0  0  0  0  0
    4.9228   -0.2613    0.0039 H   0  0  0  0  0
    8.7103   -0.2001   -0.0511 H   0  0  0  0  0
    7.7587   -2.2637    0.6176 H   0  0  0  0  0
    9.1620   -0.0845   -2.6280 H   0  0  0  0  0
    7.6016    0.6308   -3.0221 H   0  0  0  0  0
    7.1251   -1.2307   -4.5971 H   0  0  0  0  0
    8.6837   -1.9580   -4.2376 H   0  0  0  0  0
    8.3760    0.8711   -5.4272 H   0  0  0  0  0
   11.9826   -0.6887   -5.6194 H   0  0  0  0  0
    9.1194   -1.6057   -6.7898 H   0  0  0  0  0
    8.9172   -0.1514   -7.4557 H   0  0  0  0  0
    8.1410   -3.2926   -2.1982 H   0  0  0  0  0
    5.5673    5.3432   -0.4683 H   0  0  0  0  0
    4.1479    6.0657    0.2435 H   0  0  0  0  0
    1.9899    4.4600   -1.9712 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 36  1  0  0  0
 12 21  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
US9212196, Derivative 19

>  <PubChem CID>
122197949

>  <Formula>
C15H22NO9P

>  <Molecular Weight>
391.313000

>  <IUPAC Name>
(2R)-2-amino-4-[[[4-(carboxymethoxy)-3-ethoxyphenyl]-hydroxymethyl]-hydroxyphosphoryl]butanoic acid

>  <XlogP>
-3.5

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCOC1=C(C=CC(=C1)C(O)P(=O)(CCC(C(=O)O)N)O)OCC(=O)O

>  <Isomeric SMILES>
CCOC1=C(C=CC(=C1)C(O)P(=O)(CC[C@H](C(=O)O)N)O)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C15H22NO9P/c1-2-24-12-7-9(3-4-11(12)25-8-13(17)18)15(21)26(22,23)6-5-10(16)14(19)20/h3-4,7,10,15,21H,2,5-6,8,16H2,1H3,(H,17,18)(H,19,20)(H,22,23)/t10-,15?/m1/s1

>  <InChI Key>
DUVRKQMGYBQIIA-INHVJJQHSA-N

