2-[7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoic acid

Systemtic Name: 2-[7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoic acid Openeye Name: 2-[7-[(tert-butoxycarbonylamino)methyl]-3-(1-ethyl-1-phosphono-propyl)-2-quinolyl]propanoic acid CAS Name: 2-[7-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-(3-phosphonopentan-3-yl)-2-quinolinyl]propanoic acid IUPAC Name: 2-[7-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoic acid Traditional Name: 2-[7-[(tert-butoxycarbonylamino)methyl]-3-(1-ethyl-1-phosphono-propyl)-2-quinolyl]propionic acid Formula: C23H33N2O7P MolecularWeight: 480.491081

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(N=C2C=C(C=CC2=C1)CNC(=O)OC(C)(C)C)C(C)C(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=C(N=C2C=C(C=CC2=C1)CNC(=O)OC(C)(C)C)C(C)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C23H33N2O7P/c1-7-23(8-2,33(29,30)31)17-12-16-10-9-15(13-24-21(28)32-22(4,5)6)11-18(16)25-19(17)14(3)20(26)27/h9-12,14H,7-8,13H2,1-6H3,(H,24,28)(H,26,27)(H2,29,30,31)