(2S)-3-(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)propanoic acid CAS Name: (2S)-3-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(5-carbethoxy-2-keto-6-methyl-3,4-dihydro-1H-pyrimidin-4-yl)propionic acid Formula: C16H25N3O7 MolecularWeight: 371.3856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1CC(C(=O)O)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C16H25N3O7/c1-6-25-13(22)11-8(2)17-14(23)18-9(11)7-10(12(20)21)19-15(24)26-16(3,4)5/h9-10H,6-7H2,1-5H3,(H,19,24)(H,20,21)(H2,17,18,23)/t9?,10-/m0/s1