
 US9212196, Derivative 31

 44 44  0  0  0  0  0  0  0  0999 V2000
    2.6719   -0.5849    0.9722 C   0  0  0  0  0
    2.1714    0.6985    0.6175 O   0  0  0  0  0
    3.1097    1.6920    0.5073 C   0  0  0  0  0
    2.6695    3.0031    0.7258 C   0  0  0  0  0
    3.5632    4.0731    0.6590 C   0  0  0  0  0
    4.8965    3.8473    0.3179 C   0  0  0  0  0
    5.3467    2.5475    0.0559 C   0  0  0  0  0
    4.4444    1.4746    0.1480 C   0  0  0  0  0
    6.7809    2.2949   -0.3369 C   0  0  0  0  0
    7.0617    1.7807   -2.0297 P   0  0  0  0  0
    6.5211    0.4353   -2.4039 O   0  0  0  0  0
    6.5632    3.1282   -3.0964 C   0  0  0  0  0
    6.9233    2.9137   -4.5651 C   0  0  0  0  0
    6.4867    4.0735   -5.4638 C   0  0  0  0  0
    7.3245    5.3302   -5.1789 C   0  0  0  0  0
    7.1664    6.1083   -4.2520 O   0  0  0  0  0
    8.3552    5.4994   -6.0381 O   0  0  0  0  0
    6.6409    3.6594   -6.8800 N   0  0  0  0  0
    8.6733    1.7764   -2.1622 O   0  0  0  0  0
    1.3693    3.2226    1.1086 O   0  0  0  0  0
    0.6255    3.8961    0.1008 C   0  0  0  0  0
    0.2118    3.0309   -1.0779 C   0  0  0  0  0
    0.6195    3.1386   -2.2260 O   0  0  0  0  0
   -0.7189    2.1068   -0.7631 O   0  0  0  0  0
    1.8213   -1.2019    1.2805 H   0  0  0  0  0
    3.3656   -0.5299    1.8192 H   0  0  0  0  0
    3.1409   -1.0717    0.1112 H   0  0  0  0  0
    3.2307    5.0815    0.8855 H   0  0  0  0  0
    5.5778    4.6938    0.2646 H   0  0  0  0  0
    4.8003    0.4728   -0.0811 H   0  0  0  0  0
    7.1956    1.5339    0.3352 H   0  0  0  0  0
    7.3715    3.2015   -0.1569 H   0  0  0  0  0
    7.0339    4.0403   -2.7165 H   0  0  0  0  0
    5.4798    3.2618   -3.0025 H   0  0  0  0  0
    6.4471    1.9824   -4.8983 H   0  0  0  0  0
    8.0058    2.7551   -4.6491 H   0  0  0  0  0
    5.4321    4.3239   -5.3040 H   0  0  0  0  0
    8.8042    6.3087   -5.7127 H   0  0  0  0  0
    7.6442    3.6305   -7.0835 H   0  0  0  0  0
    6.2891    4.4114   -7.4746 H   0  0  0  0  0
    8.9832    1.2245   -2.9096 H   0  0  0  0  0
    1.1428    4.7857   -0.2762 H   0  0  0  0  0
   -0.2953    4.2703    0.5643 H   0  0  0  0  0
   -0.8387    1.6001   -1.5937 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5 28  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
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
US9212196, Derivative 31

>  <PubChem CID>
122197961

>  <Formula>
C14H20NO8P

>  <Molecular Weight>
361.287000

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

>  <XlogP>
-3.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C14H20NO8P/c1-22-12-6-9(2-3-11(12)23-7-13(16)17)8-24(20,21)5-4-10(15)14(18)19/h2-3,6,10H,4-5,7-8,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t10-/m1/s1

>  <InChI Key>
DROSYWQBEHIXTD-SNVBAGLBSA-N

