3-[[5-(4-dibenzofuran-4-ylphenyl)thiophen-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[5-(4-dibenzofuran-4-ylphenyl)thiophen-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[5-(4-dibenzofuran-4-ylphenyl)-2-thienyl]methylsulfanyl]propanoic acid CAS Name: 3-[[5-[4-(4-dibenzofuranyl)phenyl]-2-thiophenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-(4-dibenzofuran-4-ylphenyl)thiophen-2-yl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[5-(4-dibenzofuran-4-ylphenyl)-2-thienyl]methylthio]propionic acid Formula: C31H29NO5S2 MolecularWeight: 559.69566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=C(S1)C2=CC=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=C(S1)C2=CC=C(C=C2)C3=CC=CC4=C3OC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C31H29NO5S2/c1-31(2,3)37-30(35)32-25(29(33)34)18-38-17-21-15-16-27(39-21)20-13-11-19(12-14-20)22-8-6-9-24-23-7-4-5-10-26(23)36-28(22)24/h4-16,25H,17-18H2,1-3H3,(H,32,35)(H,33,34)