
 BDBM65291

 66 69  0  0  0  0  0  0  0  0999 V2000
    3.2801    2.4776    3.6541 C   0  0  0  0  0
    3.8108    1.6613    2.6175 O   0  0  0  0  0
    3.6770    2.1070    1.3279 C   0  0  0  0  0
    4.2319    1.2819    0.3315 C   0  0  0  0  0
    4.1074    1.6669   -1.0079 C   0  0  0  0  0
    3.4731    2.8491   -1.3703 C   0  0  0  0  0
    2.9416    3.6714   -0.3823 C   0  0  0  0  0
    3.0398    3.2997    0.9620 C   0  0  0  0  0
    4.6116    0.8878   -1.9771 F   0  0  0  0  0
    4.9513   -0.0018    0.6688 C   0  0  0  0  0
    4.0014   -1.2038    0.7401 C   0  0  0  0  0
    4.7267   -2.5222    1.0783 C   0  0  0  0  0
    3.7425   -3.6996    1.0483 C   0  0  0  0  0
    4.4722   -5.0260    1.2675 C   0  0  0  0  0
    5.4063   -5.0022    2.4509 C   0  0  0  0  0
    5.8775   -3.7934    2.9802 C   0  0  0  0  0
    5.4096   -2.4588    2.4563 C   0  0  0  0  0
    6.7678   -3.8169    4.0620 C   0  0  0  0  0
    7.2051   -5.0271    4.6003 C   0  0  0  0  0
    6.7572   -6.2442    4.0749 C   0  0  0  0  0
    5.8608   -6.2161    2.9947 C   0  0  0  0  0
    7.2084   -7.5670    4.6463 C   0  0  0  0  0
    8.7212   -7.7947    4.5954 C   0  0  0  0  0
    8.9150   -8.9414    5.5777 C   0  0  0  0  0
    7.9921   -8.5838    6.7550 C   0  0  0  0  0
    6.8291   -7.7779    6.1260 C   0  0  0  0  0
    8.7518   -7.7403    7.8093 C   0  0  0  0  0
    7.8684   -7.3620    8.8627 O   0  0  0  0  0
    8.4867   -6.4114    9.9862 P   0  0  0  0  0
    9.7071   -6.8809   10.6946 O   0  0  0  0  0
    8.5800   -4.9728    9.3064 O   0  0  0  0  0
    7.2697   -6.1700   10.9922 O   0  0  0  0  0
    7.5023   -9.8104    7.4005 N   0  0  0  0  0
    3.4739    1.9758    4.6068 H   0  0  0  0  0
    2.1958    2.5900    3.5526 H   0  0  0  0  0
    3.7795    3.4515    3.6837 H   0  0  0  0  0
    3.4014    3.1203   -2.4192 H   0  0  0  0  0
    2.4484    4.6007   -0.6557 H   0  0  0  0  0
    2.6079    3.9671    1.7004 H   0  0  0  0  0
    5.4877    0.1329    1.6149 H   0  0  0  0  0
    5.7326   -0.1920   -0.0789 H   0  0  0  0  0
    3.4920   -1.3149   -0.2259 H   0  0  0  0  0
    3.2151   -1.0143    1.4816 H   0  0  0  0  0
    5.4952   -2.7010    0.3126 H   0  0  0  0  0
    3.2158   -3.7363    0.0874 H   0  0  0  0  0
    2.9793   -3.5658    1.8257 H   0  0  0  0  0
    5.0603   -5.2693    0.3732 H   0  0  0  0  0
    3.7254   -5.8191    1.3973 H   0  0  0  0  0
    4.7152   -2.0354    3.1940 H   0  0  0  0  0
    6.2774   -1.7909    2.3945 H   0  0  0  0  0
    7.1283   -2.8848    4.4915 H   0  0  0  0  0
    7.8988   -5.0044    5.4372 H   0  0  0  0  0
    5.5055   -7.1515    2.5657 H   0  0  0  0  0
    6.7372   -8.3791    4.0730 H   0  0  0  0  0
    9.2875   -6.9155    4.9216 H   0  0  0  0  0
    9.0636   -8.0545    3.5887 H   0  0  0  0  0
    8.6019   -9.8782    5.0969 H   0  0  0  0  0
    9.9641   -9.0587    5.8712 H   0  0  0  0  0
    5.8721   -8.3121    6.1782 H   0  0  0  0  0
    6.6687   -6.8313    6.6541 H   0  0  0  0  0
    9.1666   -6.8333    7.3545 H   0  0  0  0  0
    9.5825   -8.3152    8.2375 H   0  0  0  0  0
    7.6876   -4.5959    9.1974 H   0  0  0  0  0
    7.3411   -6.7844   11.7469 H   0  0  0  0  0
    6.8851  -10.3180    6.7679 H   0  0  0  0  0
    6.9291   -9.5430    8.2036 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 21  1  0  0  0
 15 16  2  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  2  0  0  0
 18 51  1  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 53  1  0  0  0
 22 26  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 24 58  1  0  0  0
 25 26  1  0  0  0
 25 33  1  0  0  0
 25 27  1  0  0  0
 26 59  1  0  0  0
 26 60  1  0  0  0
 27 28  1  0  0  0
 27 61  1  0  0  0
 27 62  1  0  0  0
 28 29  1  0  0  0
 29 32  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 63  1  0  0  0
 32 64  1  0  0  0
 33 65  1  0  0  0
 33 66  1  0  0  0
M  END

>  <Chemical Name>
BDBM65291

>  <PubChem CID>
131953739

>  <Formula>
C25H33FNO5P

>  <Molecular Weight>
477.513000

>  <IUPAC Name>
[(1S,3R)-1-amino-3-[(6R)-6-[2-(2-fluoro-6-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C(=CC=C1)F)CCC2CCC3=C(C2)C=CC(=C3)C4CCC(C4)(COP(=O)(O)O)N

>  <Isomeric SMILES>
COC1=C(C(=CC=C1)F)CC[C@H]2CCC3=C(C2)C=CC(=C3)[C@@H]4CC[C@](C4)(COP(=O)(O)O)N

>  <InChI Std. ID>
InChI=1S/C25H33FNO5P/c1-31-24-4-2-3-23(26)22(24)10-6-17-5-7-19-14-20(9-8-18(19)13-17)21-11-12-25(27,15-21)16-32-33(28,29)30/h2-4,8-9,14,17,21H,5-7,10-13,15-16,27H2,1H3,(H2,28,29,30)/t17-,21-,25+/m1/s1

>  <InChI Key>
AAQPHAKRTFSDKT-ZIYZLLSTSA-N

