3-[[4-(5-dibenzofuran-4-yl-6-methyl-pyridin-2-yl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[4-(5-dibenzofuran-4-yl-6-methyl-pyridin-2-yl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-(5-dibenzofuran-4-yl-6-methyl-2-pyridyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-[5-(4-dibenzofuranyl)-6-methyl-2-pyridinyl]phenyl]methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(5-dibenzofuran-4-yl-6-methylpyridin-2-yl)phenyl]methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-(5-dibenzofuran-4-yl-6-methyl-2-pyridyl)benzyl]thio]propionic acid Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=C(C=C2)CSCC(C(=O)O)NC(=O)OC(C)(C)C)C3=CC=CC4=C3OC5=CC=CC=C45

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=C(C=C2)CSCC(C(=O)O)NC(=O)OC(C)(C)C)C3=CC=CC4=C3OC5=CC=CC=C45

InChI

InChI=1S/C33H32N2O5S/c1-20-23(25-9-7-10-26-24-8-5-6-11-29(24)39-30(25)26)16-17-27(34-20)22-14-12-21(13-15-22)18-41-19-28(31(36)37)35-32(38)40-33(2,3)4/h5-17,28H,18-19H2,1-4H3,(H,35,38)(H,36,37)