[4-[2-(iodanylmethoxy)-2-oxidanylidene-ethyl]phenyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [4-[2-(iodanylmethoxy)-2-oxidanylidene-ethyl]phenyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [4-[2-(iodomethoxy)-2-oxo-ethyl]phenyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [4-[2-(iodomethoxy)-2-oxoethyl]phenyl] ester IUPAC Name: [4-[2-(iodomethoxy)-2-oxoethyl]phenyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [4-[2-(iodomethoxy)-2-keto-ethyl]phenyl] ester Formula: C22H24INO6 MolecularWeight: 525.33353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)CC(=O)OCI)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC=C(C=C1)CC(=O)OCI)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24INO6/c1-15(2)20(24-22(27)28-13-17-6-4-3-5-7-17)21(26)30-18-10-8-16(9-11-18)12-19(25)29-14-23/h3-11,15,20H,12-14H2,1-2H3,(H,24,27)/t20-/m0/s1