methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-6-(phenylmethoxycarbonylamino)pyrimidin-1-yl]propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-6-(phenylmethoxycarbonylamino)pyrimidin-1-yl]propanoate Openeye Name: methyl 3-[6-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[2-oxo-6-(phenylmethoxycarbonylamino)-1-pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-6-(phenylmethoxycarbonylamino)pyrimidin-1-yl]propanoate Traditional Name: 3-[6-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN1C(=CC=NC1=O)NC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CN1C(=CC=NC1=O)NC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H26N4O7/c1-21(2,3)32-20(29)23-15(17(26)30-4)12-25-16(10-11-22-18(25)27)24-19(28)31-13-14-8-6-5-7-9-14/h5-11,15H,12-13H2,1-4H3,(H,23,29)(H,24,28)