iodanylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: iodanylmethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: iodomethyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid iodomethyl ester IUPAC Name: iodomethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid iodomethyl ester Formula: C14H18INO4 MolecularWeight: 391.20149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OCI)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H18INO4/c1-10(2)12(13(17)20-9-15)16-14(18)19-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1