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

Systemtic Name: methyl (2S)-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propanoate CAS Name: (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxy-3,5-diiodophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3,5-diiodo-phenyl)propionic acid methyl ester Formula: C18H17I2NO5 MolecularWeight: 581.14022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17I2NO5/c1-25-17(23)15(9-12-7-13(19)16(22)14(20)8-12)21-18(24)26-10-11-5-3-2-4-6-11/h2-8,15,22H,9-10H2,1H3,(H,21,24)/t15-/m0/s1