(phenylmethyl) N-[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(2-oxidanylidenepropylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(2-oxidanylidenepropylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(acetonylamino)-1-[(4-hydroxy-3-iodo-phenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-hydroxy-3-iodophenyl)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(4-hydroxy-3-iodophenyl)-1-oxo-1-(2-oxopropylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(acetonylamino)-1-(4-hydroxy-3-iodo-benzyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C20H21IN2O5 MolecularWeight: 496.29561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC(=O)C(CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CNC(=O)[C@H](CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21IN2O5/c1-13(24)11-22-19(26)17(10-15-7-8-18(25)16(21)9-15)23-20(27)28-12-14-5-3-2-4-6-14/h2-9,17,25H,10-12H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1