2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-6-(phenylmethoxycarbonylamino)pyrimidin-1-yl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxidanylidene-6-(phenylmethoxycarbonylamino)pyrimidin-1-yl]propanoic acid Openeye Name: 3-[6-(benzyloxycarbonylamino)-2-oxo-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[2-oxo-6-(phenylmethoxycarbonylamino)-1-pyrimidinyl]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-oxo-6-(phenylmethoxycarbonylamino)pyrimidin-1-yl]propanoic acid Traditional Name: 3-[6-(benzyloxycarbonylamino)-2-keto-pyrimidin-1-yl]-2-(tert-butoxycarbonylamino)propionic acid Formula: C20H24N4O7 MolecularWeight: 432.42716

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O7/c1-20(2,3)31-19(29)22-14(16(25)26)11-24-15(9-10-21-17(24)27)23-18(28)30-12-13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3,(H,22,29)(H,23,28)(H,25,26)