
 BDBM50100942

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.8722    0.2697    1.6854 C   0  0  0  0  0
    1.2866    0.8189    2.9821 C   0  0  0  0  0
    0.2167   -0.1041    3.6352 C   0  0  0  0  0
   -0.5084   -0.7764    2.8725 O   0  0  0  0  0
    0.3483   -0.0768    4.9024 O   0  0  0  0  0
    2.3936    1.0681    3.9881 N   0  0  0  0  0
    3.1260    0.3459    3.8768 H   0  0  0  0  0
    2.7660    2.0128    4.0174 H   0  0  0  0  0
    1.9106    0.8310    4.8877 H   0  0  0  0  0
    2.5627   -1.0841    1.8605 C   0  0  0  0  0
    3.0932   -1.5914    0.5172 C   0  0  0  0  0
    2.5707   -1.4968   -0.5780 O   0  0  0  0  0
    4.2900   -2.2121    0.6577 O   0  0  0  0  0
    3.6387   -0.9051    2.8059 O   0  0  0  0  0
    1.0795    0.1853    0.9319 H   0  0  0  0  0
    2.5969    0.9966    1.2940 H   0  0  0  0  0
    0.8243    1.7973    2.8105 H   0  0  0  0  0
    1.8914   -1.8501    2.2597 H   0  0  0  0  0
    4.5073   -2.4959   -0.2581 H   0  0  0  0  0
    4.2362   -1.6668    2.6310 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  6  9  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 19  1  0  0  0
 14 20  1  0  0  0
M  CHG  2   5  -1   6   1
M  END

>  <Chemical Name>
BDBM50100942

>  <PubChem CID>
44286641

>  <Formula>
C5H9NO5

>  <Molecular Weight>
163.129000

>  <IUPAC Name>
(2S,4S)-2-azaniumyl-4,5-dihydroxy-5-oxopentanoate

>  <XlogP>
-3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C(C(C(=O)[O-])[NH3+])C(C(=O)O)O

>  <Isomeric SMILES>
C([C@@H](C(=O)[O-])[NH3+])[C@@H](C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3-/m0/s1

>  <InChI Key>
HBDWQSHEVMSFGY-HRFVKAFMSA-N

