
 ALX-1393

 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
ALX-1393

>  <PubChem CID>
16078939

>  <Formula>
C23H22FNO4

>  <Molecular Weight>
395.430000

>  <IUPAC Name>
(2S)-2-amino-3-[(3-fluorophenyl)-(2-phenylmethoxyphenyl)methoxy]propanoic acid

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2C(C3=CC(=CC=C3)F)OCC(C(=O)O)N

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2C(C3=CC(=CC=C3)F)OC[C@@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C23H22FNO4/c24-18-10-6-9-17(13-18)22(29-15-20(25)23(26)27)19-11-4-5-12-21(19)28-14-16-7-2-1-3-8-16/h1-13,20,22H,14-15,25H2,(H,26,27)/t20-,22?/m0/s1

>  <InChI Key>
ADUSZEGHFWRTQS-AIBWNMTMSA-N

