(2R)-3-(6-azanylpyridin-1-ium-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (2R)-3-(6-azanylpyridin-1-ium-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (2R)-3-(6-aminopyridin-1-ium-2-yl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2R)-3-(6-amino-2-pyridin-1-iumyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: (2R)-3-(6-aminopyridin-1-ium-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-3-(6-aminopyridin-1-ium-2-yl)-2-(tert-butoxycarbonylamino)propionate Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=[NH+]C(=CC=C1)N)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=[NH+]C(=CC=C1)N)C(=O)[O-]

InChI

InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)16-9(11(17)18)7-8-5-4-6-10(14)15-8/h4-6,9H,7H2,1-3H3,(H2,14,15)(H,16,19)(H,17,18)/t9-/m1/s1