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

Systemtic Name: 2-azanyl-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[4-[4-(4-dibenzofuranyl)phenyl]phenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[4-(4-dibenzofuran-4-ylphenyl)benzyl]thio]propionic acid Formula: C28H23NO3S MolecularWeight: 453.55212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)CSCC(C(=O)O)N

InChI

InChI=1S/C28H23NO3S/c29-25(28(30)31)17-33-16-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-5-3-6-24-23-4-1-2-7-26(23)32-27(22)24/h1-15,25H,16-17,29H2,(H,30,31)