
 Lanatoprost

 71 72  0  0  0  0  0  0  0  0999 V2000
   10.2730    5.1759  -10.6848 C   0  0  0  0  0
   11.3210    5.5884   -9.6553 C   0  0  0  0  0
   11.7195    7.0561   -9.7703 C   0  0  0  0  0
   10.9055    5.1888   -8.3297 O   0  0  0  0  0
    9.8581    5.8190   -7.7357 C   0  0  0  0  0
    9.3268    6.8520   -8.1159 O   0  0  0  0  0
    9.3709    5.0214   -6.5546 C   0  0  0  0  0
   10.1427    5.3157   -5.2765 C   0  0  0  0  0
    9.4953    4.5793   -4.1008 C   0  0  0  0  0
   10.1945    4.8539   -2.8031 C   0  0  0  0  0
    9.6390    5.5549   -1.8011 C   0  0  0  0  0
   10.3047    5.8008   -0.4785 C   0  0  0  0  0
   10.8579    7.2266   -0.3618 C   0  0  0  0  0
    9.8056    8.3411   -0.4646 C   0  0  0  0  0
   10.4939    9.5782    0.1095 C   0  0  0  0  0
   11.6005    9.0527    1.0353 C   0  0  0  0  0
   11.5189    7.5121    1.0034 C   0  0  0  0  0
   12.8566    6.7807    1.1915 C   0  0  0  0  0
   13.4732    7.0285    2.5712 C   0  0  0  0  0
   14.8506    6.3724    2.7423 C   0  0  0  0  0
   15.9451    7.0696    1.9255 C   0  0  0  0  0
   17.3121    6.3991    2.0992 C   0  0  0  0  0
   18.3605    7.0768    1.2503 C   0  0  0  0  0
   19.0847    8.1658    1.7534 C   0  0  0  0  0
   20.0324    8.8125    0.9587 C   0  0  0  0  0
   20.2615    8.3801   -0.3461 C   0  0  0  0  0
   19.5429    7.3011   -0.8578 C   0  0  0  0  0
   18.5947    6.6530   -0.0646 C   0  0  0  0  0
   15.1948    6.4207    4.1275 O   0  0  0  0  0
   12.8632    9.5358    0.5915 O   0  0  0  0  0
    8.6299    8.0426    0.2807 O   0  0  0  0  0
   10.0717    4.1018  -10.6083 H   0  0  0  0  0
   10.6083    5.3956  -11.7028 H   0  0  0  0  0
    9.3195    5.6863  -10.5180 H   0  0  0  0  0
   12.2238    4.9973   -9.8518 H   0  0  0  0  0
   10.8500    7.7202   -9.7816 H   0  0  0  0  0
   12.2667    7.2310  -10.7027 H   0  0  0  0  0
   12.3524    7.3549   -8.9297 H   0  0  0  0  0
    9.4145    3.9548   -6.8061 H   0  0  0  0  0
    8.3073    5.2586   -6.4243 H   0  0  0  0  0
   10.1545    6.3965   -5.0856 H   0  0  0  0  0
   11.1888    5.0058   -5.3906 H   0  0  0  0  0
    9.5165    3.4976   -4.2823 H   0  0  0  0  0
    8.4371    4.8617   -4.0298 H   0  0  0  0  0
   11.1900    4.4324   -2.6844 H   0  0  0  0  0
    8.6389    5.9703   -1.9182 H   0  0  0  0  0
   11.1153    5.0762   -0.3403 H   0  0  0  0  0
    9.5819    5.5959    0.3206 H   0  0  0  0  0
   11.6058    7.3843   -1.1530 H   0  0  0  0  0
    9.4971    8.5106   -1.5011 H   0  0  0  0  0
   10.9215   10.1828   -0.6991 H   0  0  0  0  0
    9.7895   10.2067    0.6652 H   0  0  0  0  0
   11.4576    9.4205    2.0568 H   0  0  0  0  0
   10.8296    7.1886    1.7960 H   0  0  0  0  0
   13.5486    7.0737    0.3956 H   0  0  0  0  0
   12.7046    5.7010    1.0801 H   0  0  0  0  0
   12.7941    6.6380    3.3406 H   0  0  0  0  0
   13.5598    8.1017    2.7772 H   0  0  0  0  0
   14.7922    5.3141    2.4639 H   0  0  0  0  0
   16.0222    8.1188    2.2400 H   0  0  0  0  0
   15.6803    7.0736    0.8624 H   0  0  0  0  0
   17.2509    5.3383    1.8250 H   0  0  0  0  0
   17.6267    6.4242    3.1497 H   0  0  0  0  0
   18.9123    8.5174    2.7680 H   0  0  0  0  0
   20.5904    9.6554    1.3577 H   0  0  0  0  0
   20.9990    8.8849   -0.9644 H   0  0  0  0  0
   19.7197    6.9652   -1.8761 H   0  0  0  0  0
   18.0380    5.8158   -0.4789 H   0  0  0  0  0
   15.2124    7.3561    4.3956 H   0  0  0  0  0
   12.9900    9.2753   -0.3371 H   0  0  0  0  0
    8.8346    8.0563    1.2301 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
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 14 31  1  0  0  0
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 20 29  1  0  0  0
 20 21  1  0  0  0
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 21 22  1  0  0  0
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 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
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 29 69  1  0  0  0
 30 70  1  0  0  0
 31 71  1  0  0  0
M  END

>  <Chemical Name>
Lanatoprost

>  <PubChem CID>
46907374

>  <Formula>
C26H40O5

>  <Molecular Weight>
432.601000

>  <IUPAC Name>
propan-2-yl (Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(3R)-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)CCC/C=C\C[C@@H]1[C@@H](C[C@@H]([C@H]1CC[C@H](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/b8-3-/t21-,22-,23-,24+,25-/m0/s1

>  <InChI Key>
GGXICVAJURFBLW-CFRSLDCWSA-N

