
 CHEMBL1915862

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1915862

>  <PubChem CID>
57403305

>  <Formula>
C29H31ClN2O5

>  <Molecular Weight>
523.026000

>  <IUPAC Name>
2-[4-chloro-3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]-2-methylpropanoic acid

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)C(C)(C)C(=O)O)Cl)C)OCC3CN(C4=CC=CC=C4O3)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)C(C)(C)C(=O)O)Cl)C)OC[C@@H]3CN(C4=CC=CC=C4O3)C

>  <InChI Std. ID>
InChI=1S/C29H31ClN2O5/c1-17-13-26(36-16-20-15-32(5)24-8-6-7-9-25(24)37-20)18(2)12-21(17)27(33)31-23-14-19(10-11-22(23)30)29(3,4)28(34)35/h6-14,20H,15-16H2,1-5H3,(H,31,33)(H,34,35)/t20-/m0/s1

>  <InChI Key>
LOZKTERWUJKZQM-FQEVSTJZSA-N

