ethyl (4R,6S)-6-(iodanylmethyl)-2-oxidanylidene-4-phenethyl-3-(phenylmethyl)-1,3-diazinane-1-carboxylate

Systemtic Name: ethyl (4R,6S)-6-(iodanylmethyl)-2-oxidanylidene-4-phenethyl-3-(phenylmethyl)-1,3-diazinane-1-carboxylate Openeye Name: ethyl (4R,6S)-3-benzyl-6-(iodomethyl)-2-oxo-4-phenethyl-hexahydropyrimidine-1-carboxylate CAS Name: (4R,6S)-6-(iodomethyl)-2-oxo-4-phenethyl-3-(phenylmethyl)-1,3-diazinane-1-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,6S)-3-benzyl-6-(iodomethyl)-2-oxo-4-phenethyl-1,3-diazinane-1-carboxylate Traditional Name: (4R,6S)-3-benzyl-6-(iodomethyl)-2-keto-4-phenethyl-hexahydropyrimidine-1-carboxylic acid ethyl ester Formula: C23H27IN2O3 MolecularWeight: 506.37655

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(N(C1=O)CC2=CC=CC=C2)CCC3=CC=CC=C3)CI

Isomeric SMILES

CCOC(=O)N1[C@@H](C[C@H](N(C1=O)CC2=CC=CC=C2)CCC3=CC=CC=C3)CI

InChI

InChI=1S/C23H27IN2O3/c1-2-29-23(28)26-21(16-24)15-20(14-13-18-9-5-3-6-10-18)25(22(26)27)17-19-11-7-4-8-12-19/h3-12,20-21H,2,13-17H2,1H3/t20-,21+/m1/s1