(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propan-2-ylpyridin-1-ium-3-yl)propanoate

Systemtic Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propan-2-ylpyridin-1-ium-3-yl)propanoate Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-(1-isopropylpyridin-1-ium-3-yl)propanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-propan-2-yl-3-pyridin-1-iumyl)propanoate IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propan-2-ylpyridin-1-ium-3-yl)propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-(1-isopropylpyridin-1-ium-3-yl)propionate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC=CC(=C1)CC(C(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[N+]1=CC=CC(=C1)C[C@H](C(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H24N2O4/c1-11(2)18-8-6-7-12(10-18)9-13(14(19)20)17-15(21)22-16(3,4)5/h6-8,10-11,13H,9H2,1-5H3,(H-,17,19,20,21)/t13-/m1/s1