
 CHEMBL3815141

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

>  <Chemical Name>
CHEMBL3815141

>  <PubChem CID>
127051444

>  <Formula>
C31H35ClNO11P

>  <Molecular Weight>
664.041000

>  <IUPAC Name>
(2S)-2-amino-3-[[(2R,3R)-3-[3-[2-[[3-(4-chlorophenoxy)phenyl]methoxy]phenyl]propanoyloxy]oxan-2-yl]methoxy-hydroxyphosphoryl]oxypropanoic acid

>  <XlogP>
1.3

>  <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=C(C=C4)Cl

>  <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=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C31H35ClNO11P/c32-23-11-13-24(14-12-23)43-25-7-3-5-21(17-25)18-40-27-8-2-1-6-22(27)10-15-30(34)44-28-9-4-16-39-29(28)20-42-45(37,38)41-19-26(33)31(35)36/h1-3,5-8,11-14,17,26,28-29H,4,9-10,15-16,18-20,33H2,(H,35,36)(H,37,38)/t26-,28+,29+/m0/s1

>  <InChI Key>
LIMYTUSBKLMPQR-WIIGKZCBSA-N

