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

Systemtic Name: methyl (2S)-3-[3-iodanyl-5-(methoxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-hydroxy-3-iodo-5-(methoxymethyl)phenyl]propanoate CAS Name: (2S)-3-[4-hydroxy-3-iodo-5-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-hydroxy-3-iodo-5-(methoxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-hydroxy-3-iodo-5-(methoxymethyl)phenyl]propionic acid methyl ester Formula: C20H22INO6 MolecularWeight: 499.29625

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)I)O

Isomeric SMILES

COCC1=C(C(=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)I)O

InChI

InChI=1S/C20H22INO6/c1-26-12-15-8-14(9-16(21)18(15)23)10-17(19(24)27-2)22-20(25)28-11-13-6-4-3-5-7-13/h3-9,17,23H,10-12H2,1-2H3,(H,22,25)/t17-/m0/s1