
 CHEMBL3813767

 80 83  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3813767

>  <PubChem CID>
127051773

>  <Formula>
C31H36NO11P

>  <Molecular Weight>
629.599000

>  <IUPAC Name>
(2S)-2-amino-3-[hydroxy-[(2R,3R)-2-[3-[3-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxymethyl]oxan-3-yl]oxyphosphoryl]oxypropanoic acid

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1CC(C(OC1)COC(=O)CCC2=CC(=CC=C2)OCC3=CC(=CC=C3)OC4=CC=CC=C4)OP(=O)(O)OCC(C(=O)O)N

>  <Isomeric SMILES>
C1C[C@H]([C@H](OC1)COC(=O)CCC2=CC(=CC=C2)OCC3=CC(=CC=C3)OC4=CC=CC=C4)OP(=O)(O)OC[C@@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C31H36NO11P/c32-27(31(34)35)20-41-44(36,37)43-28-13-6-16-38-29(28)21-40-30(33)15-14-22-7-4-11-25(17-22)39-19-23-8-5-12-26(18-23)42-24-9-2-1-3-10-24/h1-5,7-12,17-18,27-29H,6,13-16,19-21,32H2,(H,34,35)(H,36,37)/t27-,28+,29+/m0/s1

>  <InChI Key>
STLBSGJARDARTI-ZGIBFIJWSA-N

