3-[[4-(3-dibenzofuran-4-ylphenyl)carbonylphenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[4-(3-dibenzofuran-4-ylphenyl)carbonylphenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-(3-dibenzofuran-4-ylbenzoyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[[3-(4-dibenzofuranyl)phenyl]-oxomethyl]phenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(3-dibenzofuran-4-ylbenzoyl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(3-dibenzofuran-4-ylbenzoyl)benzyl]thio]propionic acid Formula: C34H31NO6S MolecularWeight: 581.67804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C34H31NO6S/c1-34(2,3)41-33(39)35-28(32(37)38)20-42-19-21-14-16-22(17-15-21)30(36)24-9-6-8-23(18-24)25-11-7-12-27-26-10-4-5-13-29(26)40-31(25)27/h4-18,28H,19-20H2,1-3H3,(H,35,39)(H,37,38)