2-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-[(2-amino-2-phenyl-acetyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[(2-amino-1-oxo-2-phenylethyl)amino]-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-[(2-amino-2-phenylacetyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[(2-amino-2-phenyl-acetyl)amino]-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C36H30N2O4S MolecularWeight: 586.6994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H30N2O4S/c37-33(27-7-2-1-3-8-27)35(39)38-31(36(40)41)22-43-21-23-13-15-24(16-14-23)25-17-19-26(20-18-25)28-10-6-11-30-29-9-4-5-12-32(29)42-34(28)30/h1-20,31,33H,21-22,37H2,(H,38,39)(H,40,41)