methyl (2S)-3-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(6-iodanyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(6-iodo-4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: (2S)-3-(6-iodo-4-oxo-1H-quinazolin-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(6-iodo-4-oxo-1H-quinazolin-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(6-iodo-4-keto-1H-quinazolin-2-yl)propionic acid methyl ester Formula: C17H20IN3O5 MolecularWeight: 473.26227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=NC(=O)C2=C(N1)C=CC(=C2)I)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=NC(=O)C2=C(N1)C=CC(=C2)I)C(=O)OC

InChI

InChI=1S/C17H20IN3O5/c1-17(2,3)26-16(24)20-12(15(23)25-4)8-13-19-11-6-5-9(18)7-10(11)14(22)21-13/h5-7,12H,8H2,1-4H3,(H,20,24)(H,19,21,22)/t12-/m0/s1