tert-butyl (2S)-3-[3-iodanyl-4-[(4-methoxyphenyl)methoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[3-iodanyl-4-[(4-methoxyphenyl)methoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-[3-iodo-4-[(4-methoxyphenyl)methoxy]phenyl]propanoate CAS Name: (2S)-3-[3-iodo-4-[(4-methoxyphenyl)methoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[3-iodo-4-[(4-methoxyphenyl)methoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-iodo-4-p-anisyloxy-phenyl)propionic acid tert-butyl ester Formula: C29H32INO6 MolecularWeight: 617.47195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)OC)I)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)OC)I)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32INO6/c1-29(2,3)37-27(32)25(31-28(33)36-19-20-8-6-5-7-9-20)17-22-12-15-26(24(30)16-22)35-18-21-10-13-23(34-4)14-11-21/h5-16,25H,17-19H2,1-4H3,(H,31,33)/t25-/m0/s1