(phenylmethyl) (5S,6R)-5-iodanyl-6-methyl-4-oxidanylidene-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) (5S,6R)-5-iodanyl-6-methyl-4-oxidanylidene-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate Openeye Name: benzyl (5S,6R)-5-iodo-6-methyl-4-oxo-3-[(1S)-1-phenylethyl]hexahydropyrimidine-1-carboxylate CAS Name: (5S,6R)-5-iodo-6-methyl-4-oxo-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (5S,6R)-5-iodo-6-methyl-4-oxo-3-[(1S)-1-phenylethyl]-1,3-diazinane-1-carboxylate Traditional Name: (5S,6R)-5-iodo-4-keto-6-methyl-3-[(1S)-1-phenylethyl]hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C21H23IN2O3 MolecularWeight: 478.32339

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(CN1C(=O)OCC2=CC=CC=C2)C(C)C3=CC=CC=C3)I

Isomeric SMILES

C[C@@H]1[C@@H](C(=O)N(CN1C(=O)OCC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)I

InChI

InChI=1S/C21H23IN2O3/c1-15(18-11-7-4-8-12-18)23-14-24(16(2)19(22)20(23)25)21(26)27-13-17-9-5-3-6-10-17/h3-12,15-16,19H,13-14H2,1-2H3/t15-,16+,19-/m0/s1