iodanylmethyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxycyclohexane-1-carboxylate

Systemtic Name: iodanylmethyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxycyclohexane-1-carboxylate Openeye Name: iodomethyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxycyclohexanecarboxylate CAS Name: 4-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]-1-cyclohexanecarboxylic acid iodomethyl ester IUPAC Name: iodomethyl 4-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxycyclohexane-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxycyclohexanecarboxylic acid iodomethyl ester Formula: C21H28INO6 MolecularWeight: 517.35459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CCC(CC1)C(=O)OCI)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1CCC(CC1)C(=O)OCI)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28INO6/c1-14(2)18(23-21(26)27-12-15-6-4-3-5-7-15)20(25)29-17-10-8-16(9-11-17)19(24)28-13-22/h3-7,14,16-18H,8-13H2,1-2H3,(H,23,26)/t16?,17?,18-/m0/s1