methyl (2S)-3-(3-chloranyl-4-iodanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(3-chloranyl-4-iodanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-chloro-4-iodo-phenyl)propanoate CAS Name: (2S)-3-(3-chloro-4-iodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-chloro-4-iodo-phenyl)propionic acid methyl ester Formula: C15H19ClINO4 MolecularWeight: 439.67313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)I)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)I)Cl)C(=O)OC

InChI

InChI=1S/C15H19ClINO4/c1-15(2,3)22-14(20)18-12(13(19)21-4)8-9-5-6-11(17)10(16)7-9/h5-7,12H,8H2,1-4H3,(H,18,20)/t12-/m0/s1