
 MAP4

 24 23  0  0  0  0  0  0  0  0999 V2000
    0.3864   -0.5922   -0.5464 C   0  0  0  0  0
    1.8618   -0.3595   -0.9092 C   0  0  0  0  0
    2.7521   -0.7483    0.2920 C   0  0  0  0  0
    4.2675   -0.6995    0.0905 C   0  0  0  0  0
    5.0183    0.8959   -0.0868 P   0  0  0  0  0
    4.6990    1.7286   -1.2803 O   0  0  0  0  0
    4.7214    1.6744    1.2803 O   0  0  0  0  0
    6.5931    0.6407    0.0489 O   0  0  0  0  0
    2.2040   -1.2439   -2.1288 C   0  0  0  0  0
    1.7730   -2.3607   -2.3659 O   0  0  0  0  0
    3.1509   -0.7053   -2.9307 O   0  0  0  0  0
    1.9686    1.0702   -1.2564 N   0  0  0  0  0
   -0.2753   -0.3535   -1.3882 H   0  0  0  0  0
    0.0797    0.0211    0.3092 H   0  0  0  0  0
    0.2021   -1.6406   -0.2836 H   0  0  0  0  0
    2.5028   -1.7777    0.5848 H   0  0  0  0  0
    2.4955   -0.1173    1.1532 H   0  0  0  0  0
    4.5597   -1.3312   -0.7543 H   0  0  0  0  0
    4.7240   -1.1648    0.9735 H   0  0  0  0  0
    4.9788    2.6145    1.2497 H   0  0  0  0  0
    7.1288    1.4090   -0.2219 H   0  0  0  0  0
    3.2471   -1.3537   -3.6578 H   0  0  0  0  0
    1.9673    1.6498   -0.4200 H   0  0  0  0  0
    2.8702    1.2513   -1.7230 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2 12  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 19  1  0  0  0
  5  8  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 20  1  0  0  0
  8 21  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 22  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
M  END

>  <Chemical Name>
MAP4

>  <PubChem CID>
1795545

>  <Formula>
C5H12NO5P

>  <Molecular Weight>
197.127000

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

>  <XlogP>
-4.6

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(CCP(=O)(O)O)(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)/t5-/m0/s1

>  <InChI Key>
HONKEGXLWUDTCF-YFKPBYRVSA-N

