methyl (2R)-3-(4-iodanyl-2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2R)-3-(4-iodanyl-2-oxidanylidene-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2R)-2-(benzyloxycarbonylamino)-3-(4-iodo-2-oxo-3H-1,3-benzoxazol-6-yl)propanoate CAS Name: (2R)-3-(4-iodo-2-oxo-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-iodo-2-oxo-3H-1,3-benzoxazol-6-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-(4-iodo-2-keto-3H-1,3-benzoxazol-6-yl)propionic acid methyl ester Formula: C19H17IN2O6 MolecularWeight: 496.25255

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C(=C1)I)NC(=O)O2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H](CC1=CC2=C(C(=C1)I)NC(=O)O2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17IN2O6/c1-26-17(23)14(21-18(24)27-10-11-5-3-2-4-6-11)8-12-7-13(20)16-15(9-12)28-19(25)22-16/h2-7,9,14H,8,10H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1