[1-(iodanylmethoxy)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [1-(iodanylmethoxy)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [1-(iodomethoxycarbonyl)-2-methyl-propyl] 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [1-(iodomethoxy)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(iodomethoxy)-3-methyl-1-oxobutan-2-yl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid [1-(iodomethoxycarbonyl)-2-methyl-propyl] ester Formula: C20H28INO6 MolecularWeight: 505.34389

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C(C)C)C(=O)OCI)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)OC(C(C)C)C(=O)OCI)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H28INO6/c1-5-14(4)16(18(23)28-17(13(2)3)19(24)27-12-21)22-20(25)26-11-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,22,25)