
 L-Thio-AP4

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.3228    0.3318    0.3234 C   0  0  0  0  0
    1.4966    1.2225    1.5527 C   0  0  0  0  0
    2.2109    2.8526    1.3542 P   0  0  0  0  0
    2.0089    4.1356    2.7736 S   0  0  0  0  0
    3.7274    2.6174    0.8885 O   0  0  0  0  0
    1.6078    3.3930   -0.0375 O   0  0  0  0  0
    2.6047   -0.3579   -0.1516 C   0  0  0  0  0
    2.2579   -1.4572   -1.1723 C   0  0  0  0  0
    1.5248   -2.4119   -0.9822 O   0  0  0  0  0
    2.8547   -1.2846   -2.3727 O   0  0  0  0  0
    3.5488    0.6369   -0.7303 N   0  0  0  0  0
    0.5887   -0.4432    0.5821 H   0  0  0  0  0
    0.8721    0.9046   -0.4970 H   0  0  0  0  0
    2.0516    0.6829    2.3283 H   0  0  0  0  0
    0.4910    1.3885    1.9609 H   0  0  0  0  0
    3.8249    1.8596    0.2541 H   0  0  0  0  0
    1.8430    4.3327   -0.1751 H   0  0  0  0  0
    3.1123   -0.8516    0.6848 H   0  0  0  0  0
    2.5356   -2.0457   -2.9046 H   0  0  0  0  0
    3.1180    0.9644   -1.6087 H   0  0  0  0  0
    4.3497    0.0962   -1.0886 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-Thio-AP4

>  <PubChem CID>
17759041

>  <Formula>
C4H10NO4PS

>  <Molecular Weight>
199.161000

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

>  <XlogP>
-3.800

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C4H10NO4PS/c5-3(4(6)7)1-2-10(8,9)11/h3H,1-2,5H2,(H,6,7)(H2,8,9,11)/t3-/m0/s1

>  <InChI Key>
SBYYVZHQFAJJDQ-VKHMYHEASA-N

