
 SCHEMBL3499991

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL3499991

>  <PubChem CID>
59335655

>  <Formula>
C32H26ClNO5

>  <Molecular Weight>
540.012000

>  <IUPAC Name>
(2S)-2-[[6-(4-chlorophenyl)-3-methyl-1-benzofuran-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

>  <XlogP>
7.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(OC2=C1C=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

>  <Isomeric SMILES>
CC1=C(OC2=C1C=CC(=C2)C3=CC=C(C=C3)Cl)C(=O)N[C@@H](CC4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C32H26ClNO5/c1-20-27-16-11-24(23-9-12-25(33)13-10-23)18-29(27)39-30(20)31(35)34-28(32(36)37)17-21-7-14-26(15-8-21)38-19-22-5-3-2-4-6-22/h2-16,18,28H,17,19H2,1H3,(H,34,35)(H,36,37)/t28-/m0/s1

>  <InChI Key>
ULUVAGMIDCDIJH-NDEPHWFRSA-N

