
 CHEMBL392420

 32 33  0  0  0  0  0  0  0  0999 V2000
   -0.5080    3.9756    0.3401 C   0  0  0  0  0
    0.8627    4.0725    0.5515 C   0  0  0  0  0
    1.6952    2.9855    0.2706 C   0  0  0  0  0
    1.1844    1.7840   -0.2501 C   0  0  0  0  0
   -0.2062    1.7107   -0.4390 C   0  0  0  0  0
   -1.0457    2.7897   -0.1501 C   0  0  0  0  0
    2.0540    0.5849   -0.5483 C   0  0  0  0  0
    2.4933    0.2382   -1.9637 C   0  0  0  0  0
    3.5084    0.7160   -0.9465 C   0  0  0  0  0
    4.7010   -0.4392   -0.2982 P   0  0  0  0  0
    4.2446   -1.8207   -0.5947 O   0  0  0  0  0
    6.1082    0.0310   -0.8819 O   0  0  0  0  0
    4.8373   -0.0500    1.2436 O   0  0  0  0  0
    2.2265    1.0127   -3.2238 C   0  0  0  0  0
    0.7601    0.9497   -3.6850 C   0  0  0  0  0
   -0.0613    0.0828   -3.4316 O   0  0  0  0  0
    0.4321    1.9614   -4.5260 O   0  0  0  0  0
    2.7055    2.4112   -3.1566 N   0  0  0  0  0
   -1.1581    4.8155    0.5702 H   0  0  0  0  0
    1.2884    4.9926    0.9486 H   0  0  0  0  0
    2.7592    3.0815    0.4708 H   0  0  0  0  0
   -0.6471    0.7843   -0.8096 H   0  0  0  0  0
   -2.1178    2.6964   -0.2992 H   0  0  0  0  0
    1.8342   -0.2745    0.0882 H   0  0  0  0  0
    2.4672   -0.8266   -2.1919 H   0  0  0  0  0
    3.9039    1.7171   -1.0387 H   0  0  0  0  0
    6.0945    0.8949   -1.3336 H   0  0  0  0  0
    5.3687   -0.7114    1.7242 H   0  0  0  0  0
    2.8012    0.5292   -4.0242 H   0  0  0  0  0
   -0.5027    1.7740   -4.7567 H   0  0  0  0  0
    2.1225    2.8983   -2.4727 H   0  0  0  0  0
    2.4425    2.8466   -4.0451 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>
CHEMBL392420

>  <PubChem CID>
16739372

>  <Formula>
C11H14NO5P

>  <Molecular Weight>
271.209000

>  <IUPAC Name>
2-amino-2-[(1R,2R,3S)-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-/m0/s1

>  <InChI Key>
DLDXPEVIBANPLO-WPXGONGXSA-N

