
 CHEMBL3814235

 78 81  0  0  0  0  0  0  0  0999 V2000
    0.5508   -1.1384   -1.0756 C   0  0  0  0  0
    0.1638   -0.3274    0.1277 C   0  0  0  0  0
    1.0468    0.3849    0.8446 C   0  0  0  0  0
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    1.9706   -1.2575   -1.2365 O   0  0  0  0  0
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    3.3201    2.0832   -2.0590 O   0  0  0  0  0
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    1.9518    3.3143   -3.4315 O   0  0  0  0  0
    4.0539    4.2343   -2.6378 C   0  0  0  0  0
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    2.9929    1.7308    0.6557 O   0  0  0  0  0
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    4.2454    6.4707    2.2939 C   0  0  0  0  0
    3.7485    6.6420    1.1931 O   0  0  0  0  0
    3.7535    7.1297    3.3686 O   0  0  0  0  0
    6.1979    6.0869    3.7729 N   0  0  0  0  0
    0.1537   -2.1533   -0.9743 H   0  0  0  0  0
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   -0.8828   -0.3387    0.4176 H   0  0  0  0  0
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    3.0234   -0.2889    1.1140 H   0  0  0  0  0
    3.7529   -0.2606   -1.1365 H   0  0  0  0  0
    1.3391    1.4564   -1.8786 H   0  0  0  0  0
    2.3266    0.5755   -3.0589 H   0  0  0  0  0
    5.0077    3.7225   -2.4579 H   0  0  0  0  0
    3.8300    4.8465   -1.7569 H   0  0  0  0  0
    3.3088    5.7818   -3.9666 H   0  0  0  0  0
    4.0883    4.4616   -4.7954 H   0  0  0  0  0
    6.4460    4.3564   -5.1475 H   0  0  0  0  0
    8.6353    5.4910   -5.1388 H   0  0  0  0  0
    8.9302    7.6075   -3.8830 H   0  0  0  0  0
    7.0681    8.5943   -2.6614 H   0  0  0  0  0
    5.3507    9.3207   -1.8124 H   0  0  0  0  0
    3.6944    8.9955   -1.4358 H   0  0  0  0  0
    1.8528    9.2665   -3.0826 H   0  0  0  0  0
    2.6373   11.9477   -6.3533 H   0  0  0  0  0
    5.0624   11.7912   -5.9035 H   0  0  0  0  0
    5.9006   10.4162   -4.0385 H   0  0  0  0  0
   -1.2261   12.1273   -5.6870 H   0  0  0  0  0
   -2.3046   12.1057   -7.9223 H   0  0  0  0  0
   -1.4780   10.5621   -9.6824 H   0  0  0  0  0
    0.4128    9.0277   -9.2002 H   0  0  0  0  0
    1.4778    9.0305   -6.9681 H   0  0  0  0  0
    5.6535    1.5952    0.7628 H   0  0  0  0  0
    5.6572    3.5187    3.3851 H   0  0  0  0  0
    4.0567    4.2181    3.7228 H   0  0  0  0  0
    6.0631    5.4906    1.7591 H   0  0  0  0  0
    3.0078    7.6486    3.0000 H   0  0  0  0  0
    5.5355    6.2958    4.5274 H   0  0  0  0  0
    6.5590    7.0016    3.4990 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 45  1  0  0  0
  1 46  1  0  0  0
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  7  8  1  0  0  0
  7 51  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3814235

>  <PubChem CID>
78319744

>  <Formula>
C31H34NO11P

>  <Molecular Weight>
627.583000

>  <IUPAC Name>
(2S)-2-amino-3-[hydroxy-[[(2R,3R)-2-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxymethyl]-3,6-dihydro-2H-pyran-3-yl]oxy]phosphoryl]oxypropanoic acid

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1C=CC(C(O1)COC(=O)CCC2=CC=CC=C2OCC3=CC(=CC=C3)OC4=CC=CC=C4)OP(=O)(O)OCC(C(=O)O)N

>  <Isomeric SMILES>
C1C=C[C@H]([C@H](O1)COC(=O)CCC2=CC=CC=C2OCC3=CC(=CC=C3)OC4=CC=CC=C4)OP(=O)(O)OC[C@@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C31H34NO11P/c32-26(31(34)35)20-41-44(36,37)43-28-14-7-17-38-29(28)21-40-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-14,18,26,28-29H,15-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1

>  <InChI Key>
IANLQJOTLNXMJQ-WIIGKZCBSA-N

