2-(iodanylmethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-propanoate

Systemtic Name: 2-(iodanylmethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-propanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-3-iodo-propanoate CAS Name: 2-(iodomethyl)-3-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]propanoate IUPAC Name: 2-(iodomethyl)-3-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxypropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-3-iodo-propionate Formula: C17H21INO6- MolecularWeight: 462.25621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CI)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)OCC(CI)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H22INO6/c1-11(2)14(16(22)24-10-13(8-18)15(20)21)19-17(23)25-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,19,23)(H,20,21)/p-1