3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(1-ethanoylpyrrolidin-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(1-ethanoylpyrrolidin-3-yl)carbonylamino]propanoic acid Openeye Name: 2-[(1-acetylpyrrolidine-3-carbonyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[(1-acetyl-3-pyrrolidinyl)-oxomethyl]amino]-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-[(1-acetylpyrrolidine-3-carbonyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[(1-acetylpyrrolidine-3-carbonyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C35H32N2O5S MolecularWeight: 592.70398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1)C(=O)NC(CSCC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(C1)C(=O)NC(CSCC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56)C(=O)O

InChI

InChI=1S/C35H32N2O5S/c1-22(38)37-18-17-27(19-37)34(39)36-31(35(40)41)21-43-20-23-9-11-24(12-10-23)25-13-15-26(16-14-25)28-6-4-7-30-29-5-2-3-8-32(29)42-33(28)30/h2-16,27,31H,17-21H2,1H3,(H,36,39)(H,40,41)