3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(1-ethanoyl-5-oxidanyl-pyrrolidin-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]-2-[(1-ethanoyl-5-oxidanyl-pyrrolidin-3-yl)carbonylamino]propanoic acid Openeye Name: 2-[(1-acetyl-5-hydroxy-pyrrolidine-3-carbonyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[(1-acetyl-5-hydroxy-3-pyrrolidinyl)-oxomethyl]amino]-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-[(1-acetyl-5-hydroxypyrrolidine-3-carbonyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[(1-acetyl-5-hydroxy-pyrrolidine-3-carbonyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C35H32N2O6S MolecularWeight: 608.70338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1O)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)N1CC(CC1O)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/C35H32N2O6S/c1-21(38)37-18-26(17-32(37)39)34(40)36-30(35(41)42)20-44-19-22-9-11-23(12-10-22)24-13-15-25(16-14-24)27-6-4-7-29-28-5-2-3-8-31(28)43-33(27)29/h2-16,26,30,32,39H,17-20H2,1H3,(H,36,40)(H,41,42)