
 CHEMBL3814356

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

>  <Chemical Name>
CHEMBL3814356

>  <PubChem CID>
127050880

>  <Formula>
C31H36NO11P

>  <Molecular Weight>
629.599000

>  <IUPAC Name>
(2S)-2-amino-3-[hydroxy-[[(2R,3R)-3-[3-[4-[(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=C(C=C2)OCC3=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=C(C=C2)OCC3=CC(=CC=C3)OC4=CC=CC=C4

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

>  <InChI Key>
YMCSKCJNRCSFCQ-ZGIBFIJWSA-N

