
 CHEMBL234138

 32 33  0  0  0  0  0  0  0  0999 V2000
   -1.2701    3.6740   -0.9787 C   0  0  0  0  0
   -1.5964    2.3424   -1.2102 C   0  0  0  0  0
   -0.6004    1.3636   -1.1695 C   0  0  0  0  0
    0.7421    1.6844   -0.9068 C   0  0  0  0  0
    1.0405    3.0360   -0.6637 C   0  0  0  0  0
    0.0490    4.0217   -0.7045 C   0  0  0  0  0
    1.7856    0.5951   -0.8273 C   0  0  0  0  0
    2.3324   -0.1252   -2.0460 C   0  0  0  0  0
    3.2037    0.8548   -1.2939 C   0  0  0  0  0
    4.5590    0.2874   -0.2826 P   0  0  0  0  0
    5.7847    0.9350   -0.8149 O   0  0  0  0  0
    4.1566    0.6644    1.2156 O   0  0  0  0  0
    4.4927   -1.3031   -0.2621 O   0  0  0  0  0
    1.9219    0.1766   -3.4603 C   0  0  0  0  0
    2.9239   -0.4045   -4.4761 C   0  0  0  0  0
    3.0464   -1.5863   -4.7752 O   0  0  0  0  0
    3.6897    0.5355   -5.0645 O   0  0  0  0  0
    0.6060   -0.4591   -3.6805 N   0  0  0  0  0
   -2.0419    4.4380   -1.0110 H   0  0  0  0  0
   -2.6236    2.0595   -1.4240 H   0  0  0  0  0
   -0.8740    0.3261   -1.3558 H   0  0  0  0  0
    2.0605    3.3381   -0.4382 H   0  0  0  0  0
    0.3090    5.0609   -0.5200 H   0  0  0  0  0
    1.6639   -0.0578    0.0376 H   0  0  0  0  0
    2.5448   -1.1841   -1.9193 H   0  0  0  0  0
    3.4263    1.7837   -1.8061 H   0  0  0  0  0
    3.2388    0.9665    1.3397 H   0  0  0  0  0
    5.2779   -1.6858    0.1727 H   0  0  0  0  0
    1.8196    1.2538   -3.6336 H   0  0  0  0  0
    4.2626    0.0282   -5.6774 H   0  0  0  0  0
    0.7522   -1.4695   -3.7372 H   0  0  0  0  0
    0.2724   -0.1860   -4.6047 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>
CHEMBL234138

>  <PubChem CID>
44429225

>  <Formula>
C11H14NO5P

>  <Molecular Weight>
271.209000

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

>  <InChI Key>
DLDXPEVIBANPLO-IVMBQPJMSA-N

