(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3R)-piperidin-1-ium-3-yl]propanoate

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3R)-piperidin-1-ium-3-yl]propanoate Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(3R)-3-piperidin-1-iumyl]propanoate IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3R)-piperidin-1-ium-3-yl]propanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propionate Formula: C13H24N2O4 MolecularWeight: 272.34066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)[O-])C1CCC[NH2+]C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])[C@@H]1CCC[NH2+]C1

InChI

InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-10(7-11(16)17)9-5-4-6-14-8-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+/m1/s1