
 L-AP4

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2275    0.1606    0.1869 C   0  0  0  0  0
    0.9531    0.9875    1.4411 C   0  0  0  0  0
    1.5535    2.6595    1.5251 P   0  0  0  0  0
    0.9543    3.5088    2.5957 O   0  0  0  0  0
    3.1503    2.6084    1.5727 O   0  0  0  0  0
    1.3296    3.2981    0.0714 O   0  0  0  0  0
    2.6680   -0.3413    0.0603 C   0  0  0  0  0
    2.7850   -1.3923   -1.0595 C   0  0  0  0  0
    1.9816   -2.2674   -1.3291 O   0  0  0  0  0
    3.9522   -1.3062   -1.7399 O   0  0  0  0  0
    3.5954    0.7961   -0.1879 N   0  0  0  0  0
    0.5561   -0.7079    0.2141 H   0  0  0  0  0
    0.9428    0.7305   -0.7064 H   0  0  0  0  0
    1.2968    0.4421    2.3274 H   0  0  0  0  0
   -0.1376    1.0615    1.5378 H   0  0  0  0  0
    3.5217    1.8962    0.9910 H   0  0  0  0  0
    1.5071    4.2585    0.1056 H   0  0  0  0  0
    2.9824   -0.8368    0.9860 H   0  0  0  0  0
    3.9040   -2.0473   -2.3823 H   0  0  0  0  0
    3.2991    1.2414   -1.0685 H   0  0  0  0  0
    4.4948    0.3677   -0.4586 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
M  END

>  <Chemical Name>
L-AP4

>  <PubChem CID>
179394

>  <Formula>
C4H10NO5P

>  <Molecular Weight>
183.100000

>  <IUPAC Name>
(2S)-2-amino-4-phosphonobutanoic acid

>  <XlogP>
-5.500

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C(CP(=O)(O)O)C(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1

>  <InChI Key>
DDOQBQRIEWHWBT-VKHMYHEASA-N

