
 CHEMBL396319

 32 33  0  0  0  0  0  0  0  0999 V2000
    0.7720    5.0255   -0.7506 C   0  0  0  0  0
    2.1213    4.7258   -0.5911 C   0  0  0  0  0
    2.5482    3.3940   -0.5898 C   0  0  0  0  0
    1.6423    2.3326   -0.7575 C   0  0  0  0  0
    0.2868    2.6669   -0.9144 C   0  0  0  0  0
   -0.1474    3.9949   -0.9134 C   0  0  0  0  0
    2.0704    0.8866   -0.6934 C   0  0  0  0  0
    2.1071   -0.0290   -1.8993 C   0  0  0  0  0
    3.3997    0.4522   -1.2793 C   0  0  0  0  0
    4.4318   -0.6622   -0.3431 P   0  0  0  0  0
    5.7819   -0.6299   -0.9570 O   0  0  0  0  0
    4.3381   -0.1510    1.1674 O   0  0  0  0  0
    3.6602   -2.0549   -0.2728 O   0  0  0  0  0
    1.7550    0.3921   -3.2966 C   0  0  0  0  0
    2.4062   -0.5423   -4.3370 C   0  0  0  0  0
    3.5984   -0.6427   -4.5735 O   0  0  0  0  0
    1.5240   -1.3482   -4.9752 O   0  0  0  0  0
    0.2785    0.3582   -3.4056 N   0  0  0  0  0
    0.4374    6.0593   -0.7465 H   0  0  0  0  0
    2.8442    5.5273   -0.4619 H   0  0  0  0  0
    3.6077    3.1906   -0.4515 H   0  0  0  0  0
   -0.4472    1.8724   -1.0418 H   0  0  0  0  0
   -1.2035    4.2186   -1.0374 H   0  0  0  0  0
    1.7454    0.3812    0.2166 H   0  0  0  0  0
    1.8253   -1.0640   -1.7241 H   0  0  0  0  0
    3.9738    1.1594   -1.8669 H   0  0  0  0  0
    3.7276    0.5925    1.3192 H   0  0  0  0  0
    4.2211   -2.7452    0.1275 H   0  0  0  0  0
    2.0914    1.4111   -3.5196 H   0  0  0  0  0
    2.0964   -1.9075   -5.5425 H   0  0  0  0  0
    0.0074   -0.6249   -3.4860 H   0  0  0  0  0
    0.0308    0.7507   -4.3149 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>
CHEMBL396319

>  <PubChem CID>
44429224

>  <Formula>
C11H14NO5P

>  <Molecular Weight>
271.209000

>  <IUPAC Name>
2-amino-2-[(1R,2S,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+/m1/s1

>  <InChI Key>
DLDXPEVIBANPLO-VYQDEHIVSA-N

