
 L-NASPA

 66 65  0  0  0  0  0  0  0  0999 V2000
   10.2582   -3.6514   -6.8541 C   0  0  0  0  0
    9.8760   -3.0200   -5.5245 C   0  0  0  0  0
   10.4277   -1.6001   -5.3987 C   0  0  0  0  0
   10.0402   -0.9654   -4.0610 C   0  0  0  0  0
   10.5963    0.4543   -3.9401 C   0  0  0  0  0
   10.2142    1.1004   -2.6061 C   0  0  0  0  0
   10.7819    2.5170   -2.5024 C   0  0  0  0  0
   10.4183    3.1838   -1.1739 C   0  0  0  0  0
   11.0432    4.5783   -1.0785 C   0  0  0  0  0
   10.7294    5.2505    0.2596 C   0  0  0  0  0
   11.3452    6.6489    0.3936 C   0  0  0  0  0
   12.8751    6.6278    0.5020 C   0  0  0  0  0
   13.5116    8.0210    0.5426 C   0  0  0  0  0
   13.1098    8.8513    1.7661 C   0  0  0  0  0
   13.6992   10.2640    1.7490 C   0  0  0  0  0
   13.2279   11.2199    0.6601 C   0  0  0  0  0
   13.8018   12.2920    0.4694 O   0  0  0  0  0
   12.1227   10.8486   -0.0582 N   0  0  0  0  0
   11.5975   11.6771   -1.1418 C   0  0  0  0  0
   10.7903   10.8242   -2.1284 C   0  0  0  0  0
   11.5052    9.6772   -2.5794 O   0  0  0  0  0
   12.6834    9.8987   -3.6382 P   0  0  0  0  0
   12.3812   10.7851   -4.7939 O   0  0  0  0  0
   13.9383   10.3584   -2.7746 O   0  0  0  0  0
   13.0959    8.4180   -4.0623 O   0  0  0  0  0
   10.6758   12.7808   -0.6308 C   0  0  0  0  0
   10.1808   13.6644   -1.3194 O   0  0  0  0  0
   10.3311   12.6791    0.6695 O   0  0  0  0  0
    9.8601   -4.6690   -6.9189 H   0  0  0  0  0
   11.3459   -3.7047   -6.9656 H   0  0  0  0  0
    9.8545   -3.0751   -7.6927 H   0  0  0  0  0
   10.2600   -3.6422   -4.7079 H   0  0  0  0  0
    8.7836   -3.0047   -5.4351 H   0  0  0  0  0
   10.0460   -0.9838   -6.2219 H   0  0  0  0  0
   11.5205   -1.6218   -5.4920 H   0  0  0  0  0
   10.4221   -1.5813   -3.2377 H   0  0  0  0  0
    8.9477   -0.9415   -3.9683 H   0  0  0  0  0
   10.2162    1.0681   -4.7659 H   0  0  0  0  0
   11.6889    0.4281   -4.0344 H   0  0  0  0  0
   10.5958    0.4895   -1.7790 H   0  0  0  0  0
    9.1224    1.1322   -2.5097 H   0  0  0  0  0
   10.4026    3.1264   -3.3319 H   0  0  0  0  0
   11.8735    2.4784   -2.6045 H   0  0  0  0  0
   10.7747    2.5644   -0.3418 H   0  0  0  0  0
    9.3282    3.2572   -1.0811 H   0  0  0  0  0
   10.6710    5.2051   -1.8981 H   0  0  0  0  0
   12.1261    4.4851   -1.2092 H   0  0  0  0  0
   11.0732    4.6185    1.0872 H   0  0  0  0  0
    9.6407    5.3417    0.3631 H   0  0  0  0  0
   10.9234    7.1060    1.2957 H   0  0  0  0  0
   11.0356    7.2727   -0.4536 H   0  0  0  0  0
   13.2987    6.1079   -0.3639 H   0  0  0  0  0
   13.1741    6.0597    1.3905 H   0  0  0  0  0
   13.2639    8.5421   -0.3874 H   0  0  0  0  0
   14.6024    7.9016    0.5435 H   0  0  0  0  0
   13.4684    8.3381    2.6672 H   0  0  0  0  0
   12.0221    8.9132    1.8665 H   0  0  0  0  0
   14.7905   10.1935    1.6656 H   0  0  0  0  0
   13.4732   10.7472    2.7073 H   0  0  0  0  0
   11.5703   10.0534    0.2277 H   0  0  0  0  0
   12.4457   12.1588   -1.6399 H   0  0  0  0  0
   10.4619   11.4147   -2.9910 H   0  0  0  0  0
    9.8817   10.4498   -1.6413 H   0  0  0  0  0
   14.6712   10.6675   -3.3361 H   0  0  0  0  0
   12.5181    8.0796   -4.7692 H   0  0  0  0  0
    9.7788   13.4720    0.8328 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
  9 47  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 52  1  0  0  0
 12 53  1  0  0  0
 13 14  1  0  0  0
 13 54  1  0  0  0
 13 55  1  0  0  0
 14 15  1  0  0  0
 14 56  1  0  0  0
 14 57  1  0  0  0
 15 16  1  0  0  0
 15 58  1  0  0  0
 15 59  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 60  1  0  0  0
 19 26  1  0  0  0
 19 20  1  0  0  0
 19 61  1  0  0  0
 20 21  1  0  0  0
 20 62  1  0  0  0
 20 63  1  0  0  0
 21 22  1  0  0  0
 22 25  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 64  1  0  0  0
 25 65  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 66  1  0  0  0
M  END

>  <Chemical Name>
L-NASPA

>  <PubChem CID>
6610239

>  <Formula>
C19H38NO7P

>  <Molecular Weight>
423.487000

>  <IUPAC Name>
(2S)-2-(hexadecanoylamino)-3-phosphonooxypropanoic acid

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)O)C(=O)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)20-17(19(22)23)16-27-28(24,25)26/h17H,2-16H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t17-/m0/s1

>  <InChI Key>
HSMUPNYJCMYKJH-KRWDZBQOSA-N

