2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid

Systemtic Name: 2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Openeye Name: 3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-2-diethoxyphosphoryl-propanoic acid CAS Name: 2-diethoxyphosphoryl-3-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]propanoic acid Traditional Name: 3-[6-(tert-butoxycarbonylamino)-3-pyridyl]-2-diethoxyphosphoryl-propionic acid Formula: C17H27N2O7P MolecularWeight: 402.379241

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)C(=O)O)OCC

InChI

InChI=1S/C17H27N2O7P/c1-6-24-27(23,25-7-2)13(15(20)21)10-12-8-9-14(18-11-12)19-16(22)26-17(3,4)5/h8-9,11,13H,6-7,10H2,1-5H3,(H,20,21)(H,18,19,22)