
 15(S)-Latanoprost

 71 72  0  0  0  0  0  0  0  0999 V2000
    4.4127    0.4695   -0.5636 C   0  0  0  0  0
    4.4357    1.1123   -1.9423 C   0  0  0  0  0
    3.1497    1.8773   -2.2240 C   0  0  0  0  0
    5.5098    2.0681   -1.9686 O   0  0  0  0  0
    6.4847    1.8758   -2.8950 C   0  0  0  0  0
    6.5836    0.9131   -3.6445 O   0  0  0  0  0
    7.4484    3.0286   -2.8829 C   0  0  0  0  0
    6.7531    4.3176   -3.3216 C   0  0  0  0  0
    7.7139    5.5011   -3.4238 C   0  0  0  0  0
    8.3632    5.7917   -2.1049 C   0  0  0  0  0
    9.6759    5.6547   -1.8642 C   0  0  0  0  0
   10.2865    5.8928   -0.5132 C   0  0  0  0  0
   10.8746    7.3015   -0.3808 C   0  0  0  0  0
    9.8328    8.4324   -0.4659 C   0  0  0  0  0
   10.5416    9.6547    0.1123 C   0  0  0  0  0
   11.6395    9.1026    1.0327 C   0  0  0  0  0
   11.5230    7.5640    0.9940 C   0  0  0  0  0
   12.8383    6.8029    1.2209 C   0  0  0  0  0
   13.4570    7.0304    2.6077 C   0  0  0  0  0
   12.6149    6.5284    3.7915 C   0  0  0  0  0
   12.4846    5.0015    3.8288 C   0  0  0  0  0
   11.5403    4.5347    4.9450 C   0  0  0  0  0
   11.4116    3.0298    4.9961 C   0  0  0  0  0
   10.8632    2.3178    3.9193 C   0  0  0  0  0
   10.7492    0.9275    3.9709 C   0  0  0  0  0
   11.1701    0.2348    5.1036 C   0  0  0  0  0
   11.7046    0.9317    6.1853 C   0  0  0  0  0
   11.8256    2.3218    6.1323 C   0  0  0  0  0
   13.2275    6.9746    5.0021 O   0  0  0  0  0
   12.9079    9.5576    0.5764 O   0  0  0  0  0
    8.6611    8.1501    0.2967 O   0  0  0  0  0
    5.3506   -0.0654   -0.3789 H   0  0  0  0  0
    3.5833   -0.2376   -0.4692 H   0  0  0  0  0
    4.3224    1.2264    0.2234 H   0  0  0  0  0
    4.5566    0.3312   -2.7009 H   0  0  0  0  0
    2.9810    2.6544   -1.4702 H   0  0  0  0  0
    2.2843    1.2087   -2.2400 H   0  0  0  0  0
    3.2162    2.3885   -3.1909 H   0  0  0  0  0
    8.2748    2.7924   -3.5634 H   0  0  0  0  0
    7.8705    3.1035   -1.8747 H   0  0  0  0  0
    5.9438    4.5623   -2.6213 H   0  0  0  0  0
    6.2750    4.1623   -4.2969 H   0  0  0  0  0
    7.1587    6.3909   -3.7435 H   0  0  0  0  0
    8.4645    5.3028   -4.1979 H   0  0  0  0  0
    7.7028    6.1263   -1.3047 H   0  0  0  0  0
   10.3441    5.3273   -2.6576 H   0  0  0  0  0
   11.0694    5.1388   -0.3716 H   0  0  0  0  0
    9.5500    5.7037    0.2782 H   0  0  0  0  0
   11.6284    7.4555   -1.1662 H   0  0  0  0  0
    9.5133    8.6139   -1.4968 H   0  0  0  0  0
   10.9768   10.2554   -0.6946 H   0  0  0  0  0
    9.8483   10.2907    0.6730 H   0  0  0  0  0
   11.5120    9.4700    2.0561 H   0  0  0  0  0
   10.7999    7.2544    1.7591 H   0  0  0  0  0
   13.5724    7.0965    0.4603 H   0  0  0  0  0
   12.6816    5.7308    1.0687 H   0  0  0  0  0
   13.6715    8.0966    2.7495 H   0  0  0  0  0
   14.4387    6.5393    2.6372 H   0  0  0  0  0
   11.6212    6.9855    3.7663 H   0  0  0  0  0
   13.4729    4.5510    3.9887 H   0  0  0  0  0
   12.1137    4.6350    2.8666 H   0  0  0  0  0
   10.5408    4.9633    4.7986 H   0  0  0  0  0
   11.8974    4.9077    5.9126 H   0  0  0  0  0
   10.5188    2.8412    3.0306 H   0  0  0  0  0
   10.3288    0.3857    3.1277 H   0  0  0  0  0
   11.0780   -0.8472    5.1452 H   0  0  0  0  0
   12.0265    0.3930    7.0726 H   0  0  0  0  0
   12.2437    2.8484    6.9874 H   0  0  0  0  0
   14.1477    6.6585    5.0075 H   0  0  0  0  0
   13.0269    9.2812   -0.3481 H   0  0  0  0  0
    8.8713    8.1834    1.2443 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 11  2  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 12 48  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 49  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 50  1  0  0  0
 15 16  1  0  0  0
 15 51  1  0  0  0
 15 52  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 53  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 18 19  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 20  1  0  0  0
 19 57  1  0  0  0
 19 58  1  0  0  0
 20 29  1  0  0  0
 20 21  1  0  0  0
 20 59  1  0  0  0
 21 22  1  0  0  0
 21 60  1  0  0  0
 21 61  1  0  0  0
 22 23  1  0  0  0
 22 62  1  0  0  0
 22 63  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 64  1  0  0  0
 25 26  2  0  0  0
 25 65  1  0  0  0
 26 27  1  0  0  0
 26 66  1  0  0  0
 27 28  2  0  0  0
 27 67  1  0  0  0
 28 68  1  0  0  0
 29 69  1  0  0  0
 30 70  1  0  0  0
 31 71  1  0  0  0
M  END

>  <Chemical Name>
15(S)-Latanoprost

>  <PubChem CID>
3890

>  <Formula>
C26H40O5

>  <Molecular Weight>
432.601000

>  <IUPAC Name>
propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O

>  <Isomeric SMILES>
CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O

>  <InChI Std. ID>
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3

>  <InChI Key>
GGXICVAJURFBLW-UHFFFAOYSA-N

