
 US8592379, 37

 37 36  0  0  0  0  0  0  0  0999 V2000
    2.0187    7.0911   -1.8885 C   0  0  0  0  0
    2.3784    5.9705   -0.9066 C   0  0  0  0  0
    1.1119    5.4869   -0.2001 C   0  0  0  0  0
    3.0953    4.8411   -1.6736 C   0  0  0  0  0
    3.5633    3.6380   -0.8316 C   0  0  0  0  0
    4.3096    2.5849   -1.6828 C   0  0  0  0  0
    3.4702    1.9932   -2.8163 C   0  0  0  0  0
    4.2785    1.0122   -3.6901 C   0  0  0  0  0
    3.3933    0.4738   -4.7419 N   0  0  0  0  0
    4.1403   -0.3875   -5.6514 C   0  0  0  0  0
    2.3446    1.3110   -2.2598 O   0  0  0  0  0
    4.5166    4.1015    0.2653 C   0  0  0  0  0
    5.5437    4.7323    0.0070 O   0  0  0  0  0
    4.1812    3.7161    1.6824 C   0  0  0  0  0
    1.3345    6.7323   -2.6663 H   0  0  0  0  0
    2.9162    7.4795   -2.3823 H   0  0  0  0  0
    1.5343    7.9256   -1.3706 H   0  0  0  0  0
    3.0579    6.3902   -0.1556 H   0  0  0  0  0
    0.5777    6.3273    0.2563 H   0  0  0  0  0
    0.4294    4.9934   -0.9005 H   0  0  0  0  0
    1.3449    4.7800    0.6006 H   0  0  0  0  0
    3.9627    5.2684   -2.1946 H   0  0  0  0  0
    2.4089    4.4904   -2.4525 H   0  0  0  0  0
    2.6971    3.1608   -0.3595 H   0  0  0  0  0
    4.6325    1.7744   -1.0153 H   0  0  0  0  0
    5.2227    3.0278   -2.1004 H   0  0  0  0  0
    3.0877    2.7859   -3.4663 H   0  0  0  0  0
    4.6423    0.1818   -3.0731 H   0  0  0  0  0
    5.1370    1.5315   -4.1323 H   0  0  0  0  0
    3.0052    1.2510   -5.2805 H   0  0  0  0  0
    4.5694   -1.2444   -5.1246 H   0  0  0  0  0
    4.9399    0.1636   -6.1556 H   0  0  0  0  0
    3.4645   -0.7736   -6.4195 H   0  0  0  0  0
    2.0687    0.6780   -2.9556 H   0  0  0  0  0
    4.8511    4.2382    2.3726 H   0  0  0  0  0
    4.3039    2.6378    1.8084 H   0  0  0  0  0
    3.1555    4.0093    1.9163 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5 12  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
M  END

>  <Chemical Name>
US8592379, 37

>  <PubChem CID>
58143618

>  <Formula>
C11H23NO2

>  <Molecular Weight>
201.310000

>  <IUPAC Name>
(5S)-5-hydroxy-6-(methylamino)-3-(2-methylpropyl)hexan-2-one

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CC(CC(CNC)O)C(=O)C

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

>  <InChI Std. ID>
InChI=1S/C11H23NO2/c1-8(2)5-10(9(3)13)6-11(14)7-12-4/h8,10-12,14H,5-7H2,1-4H3/t10?,11-/m0/s1

>  <InChI Key>
DXAGOQFKSWOAON-DTIOYNMSSA-N

