
 CHEMBL392419

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.8749    2.0180   -1.1974 C   0  0  0  0  0
   -0.7659    2.8581   -1.1669 C   0  0  0  0  0
    0.5186    2.3209   -1.0306 C   0  0  0  0  0
    0.7274    0.9347   -0.9341 C   0  0  0  0  0
   -0.4125    0.1131   -0.9638 C   0  0  0  0  0
   -1.6987    0.6427   -1.0949 C   0  0  0  0  0
    2.0944    0.3261   -0.7307 C   0  0  0  0  0
    2.8503   -0.3967   -1.8301 C   0  0  0  0  0
    3.3286    0.9534   -1.3444 C   0  0  0  0  0
    4.8057    1.0893   -0.3537 P   0  0  0  0  0
    5.7535    1.9499   -1.1060 O   0  0  0  0  0
    4.3105    1.6550    1.0550 O   0  0  0  0  0
    5.2585   -0.3920    0.0172 O   0  0  0  0  0
    2.3595   -0.5432   -3.2432 C   0  0  0  0  0
    3.5043   -0.9012   -4.2117 C   0  0  0  0  0
    3.7001   -1.9890   -4.7326 O   0  0  0  0  0
    4.3385    0.1317   -4.4454 O   0  0  0  0  0
    1.3563   -1.6289   -3.2486 N   0  0  0  0  0
   -2.8737    2.4334   -1.3000 H   0  0  0  0  0
   -0.8988    3.9341   -1.2457 H   0  0  0  0  0
    1.3634    3.0046   -0.9988 H   0  0  0  0  0
   -0.2927   -0.9668   -0.8885 H   0  0  0  0  0
   -2.5576   -0.0227   -1.1167 H   0  0  0  0  0
    2.2198   -0.1312    0.2516 H   0  0  0  0  0
    3.4192   -1.2706   -1.5234 H   0  0  0  0  0
    3.2143    1.7760   -2.0404 H   0  0  0  0  0
    3.3440    1.6862    1.1750 H   0  0  0  0  0
    6.1239   -0.3941    0.4679 H   0  0  0  0  0
    1.8792    0.3706   -3.6113 H   0  0  0  0  0
    5.0272   -0.2345   -5.0388 H   0  0  0  0  0
    1.8564   -2.5156   -3.1542 H   0  0  0  0  0
    0.9495   -1.6702   -4.1841 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 13  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 27  1  0  0  0
 13 28  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL392419

>  <PubChem CID>
44429217

>  <Formula>
C11H14NO5P

>  <Molecular Weight>
271.209000

>  <IUPAC Name>
2-amino-2-[(1S,2S,3R)-2-phenyl-3-phosphonocyclopropyl]acetic acid

>  <XlogP>
-3.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)C2C(C2P(=O)(O)O)C(C(=O)O)N

>  <Isomeric SMILES>
C1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]2P(=O)(O)O)C(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m1/s1

>  <InChI Key>
DLDXPEVIBANPLO-URJDPWSZSA-N

