(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-[[3-[[6-(N'-propan-2-ylcarbamimidoyl)-2-[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]phenoxy]methyl]phosphinic acid

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-[[3-[[6-(N'-propan-2-ylcarbamimidoyl)-2-[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]phenoxy]methyl]phosphinic acid Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethoxy)-[[3-[[6-(N'-isopropylcarbamimidoyl)-2-[5-[6-(N'-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]-2-furyl]-3H-benzimidazol-5-yl]methyl]phenoxy]methyl]phosphinic acid CAS Name: [3-[[6-[amino(propan-2-ylimino)methyl]-2-[5-[6-[amino(propan-2-ylimino)methyl]-1H-benzimidazol-2-yl]-2-furanyl]-3H-benzimidazol-5-yl]methyl]phenoxy]methyl-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphosphinic acid IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-[[3-[[6-(N'-propan-2-ylcarbamimidoyl)-2-[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]phenoxy]methyl]phosphinic acid Traditional Name: (2-ethoxy-2-keto-1,1-dimethyl-ethoxy)-[[3-[[6-(N'-isopropylamidino)-2-[5-[6-(N'-isopropylamidino)-1H-benzimidazol-2-yl]-2-furyl]-3H-benzimidazol-5-yl]methyl]phenoxy]methyl]phosphinic acid Formula: C40H47N8O7P MolecularWeight: 782.824341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OP(=O)(COC1=CC=CC(=C1)CC2=CC3=C(C=C2C(=NC(C)C)N)N=C(N3)C4=CC=C(O4)C5=NC6=C(N5)C=C(C=C6)C(=NC(C)C)N)O

Isomeric SMILES

CCOC(=O)C(C)(C)OP(=O)(COC1=CC=CC(=C1)CC2=CC3=C(C=C2C(=NC(C)C)N)N=C(N3)C4=CC=C(O4)C5=NC6=C(N5)C=C(C=C6)C(=NC(C)C)N)O

InChI

InChI=1S/C40H47N8O7P/c1-8-52-39(49)40(6,7)55-56(50,51)21-53-27-11-9-10-24(17-27)16-26-19-31-32(20-28(26)36(42)44-23(4)5)48-38(47-31)34-15-14-33(54-34)37-45-29-13-12-25(18-30(29)46-37)35(41)43-22(2)3/h9-15,17-20,22-23H,8,16,21H2,1-7H3,(H2,41,43)(H2,42,44)(H,45,46)(H,47,48)(H,50,51)