
 MLS003675053

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M  END

>  <Chemical Name>
MLS003675053

>  <PubChem CID>
53384063

>  <Formula>
C22H27NO5S

>  <Molecular Weight>
417.520000

>  <IUPAC Name>
benzyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N2C(COC2CC(=O)OCC3=CC=CC=C3)C(C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N2[C@H](CO[C@H]2CC(=O)OCC3=CC=CC=C3)C(C)C

>  <InChI Std. ID>
InChI=1S/C22H27NO5S/c1-16(2)20-15-27-21(13-22(24)28-14-18-7-5-4-6-8-18)23(20)29(25,26)19-11-9-17(3)10-12-19/h4-12,16,20-21H,13-15H2,1-3H3/t20-,21+/m1/s1

>  <InChI Key>
ABJKYLFMECAGML-RTWAWAEBSA-N

