
 CHEMBL3813950

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

>  <Chemical Name>
CHEMBL3813950

>  <PubChem CID>
78319778

>  <Formula>
C31H36NO11P

>  <Molecular Weight>
629.599000

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

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1CC(C(OC1)COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCC2=CC=CC=C2OCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <Isomeric SMILES>
C1C[C@H]([C@H](OC1)COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC2=CC=CC=C2OCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C31H36NO11P/c32-26(31(34)35)20-40-44(36,37)41-21-29-28(14-7-17-38-29)43-30(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/h1-6,8-13,18,26,28-29H,7,14-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1

>  <InChI Key>
ZEFLNNLYGODKPF-WIIGKZCBSA-N

