
 D-phenylalanine

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.9641   -2.2630    2.4898 C   0  0  0  0  0
   -2.0021   -2.3588    1.1004 C   0  0  0  0  0
   -0.8599   -2.0783    0.3494 C   0  0  0  0  0
    0.3343   -1.7028    0.9810 C   0  0  0  0  0
    0.3596   -1.6072    2.3790 C   0  0  0  0  0
   -0.7844   -1.8862    3.1286 C   0  0  0  0  0
    1.5743   -1.4081    0.1639 C   0  0  0  0  0
    2.4775   -2.6189   -0.1336 C   0  0  0  0  0
    3.1164   -3.1711    1.1480 C   0  0  0  0  0
    3.5955   -2.5192    2.0626 O   0  0  0  0  0
    3.1857   -4.5228    1.1766 O   0  0  0  0  0
    1.7774   -3.6856   -0.8991 N   0  0  0  0  0
   -2.8547   -2.4773    3.0744 H   0  0  0  0  0
   -2.9224   -2.6488    0.6001 H   0  0  0  0  0
   -0.9045   -2.1553   -0.7357 H   0  0  0  0  0
    1.2699   -1.3083    2.8959 H   0  0  0  0  0
   -0.7550   -1.8051    4.2121 H   0  0  0  0  0
    2.1568   -0.6338    0.6813 H   0  0  0  0  0
    1.2655   -0.9471   -0.7843 H   0  0  0  0  0
    3.3134   -2.2830   -0.7592 H   0  0  0  0  0
    3.6265   -4.7154    2.0308 H   0  0  0  0  0
    0.9903   -4.0074   -0.3304 H   0  0  0  0  0
    2.4042   -4.4955   -0.9184 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  4  2  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
 12 23  1  0  0  0
M  END

>  <Chemical Name>
D-phenylalanine

>  <PubChem CID>
71567

>  <Formula>
C9H11NO2

>  <Molecular Weight>
165.192000

>  <IUPAC Name>
(2R)-2-amino-3-phenylpropanoic acid

>  <XlogP>
-1.500

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CC(C(=O)O)N

>  <Isomeric SMILES>
C1=CC=C(C=C1)C[C@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1

>  <InChI Key>
COLNVLDHVKWLRT-MRVPVSSYSA-N

