tert-butyl N-[[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-N-methyl-carbamate Openeye Name: tert-butyl N-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoyl]amino]-N-methyl-carbamate CAS Name: N-[[(2S)-3-(4-hydroxy-3-iodophenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-N-methylcarbamate Traditional Name: N-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoyl]amino]-N-methyl-carbamic acid tert-butyl ester Formula: C23H28IN3O6 MolecularWeight: 569.38939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28IN3O6/c1-23(2,3)33-22(31)27(4)26-20(29)18(13-16-10-11-19(28)17(24)12-16)25-21(30)32-14-15-8-6-5-7-9-15/h5-12,18,28H,13-14H2,1-4H3,(H,25,30)(H,26,29)/t18-/m0/s1