[2-(iodanylmethoxy)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [2-(iodanylmethoxy)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [2-(iodomethoxy)-2-oxo-1-phenyl-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [2-(iodomethoxy)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(iodomethoxy)-2-oxo-1-phenylethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid [2-(iodomethoxy)-2-keto-1-phenyl-ethyl] ester Formula: C23H26INO6 MolecularWeight: 539.36011

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C1=CC=CC=C1)C(=O)OCI)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)OC(C1=CC=CC=C1)C(=O)OCI)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26INO6/c1-3-16(2)19(25-23(28)29-14-17-10-6-4-7-11-17)21(26)31-20(22(27)30-15-24)18-12-8-5-9-13-18/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,25,28)