ethyl (2S)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(propanoylamino)propanoate

Systemtic Name: ethyl (2S)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(propanoylamino)propanoate Openeye Name: ethyl (2S)-3-(4-hydroxy-3,5-diiodo-phenyl)-2-(propanoylamino)propanoate CAS Name: (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-(1-oxopropylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-(propanoylamino)propanoate Traditional Name: (2S)-3-(4-hydroxy-3,5-diiodo-phenyl)-2-propionamido-propionic acid ethyl ester Formula: C14H17I2NO4 MolecularWeight: 517.09802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)OCC

Isomeric SMILES

CCC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)OCC

InChI

InChI=1S/C14H17I2NO4/c1-3-12(18)17-11(14(20)21-4-2)7-8-5-9(15)13(19)10(16)6-8/h5-6,11,19H,3-4,7H2,1-2H3,(H,17,18)/t11-/m0/s1