(3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3R,4S)-1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3R,4S)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4S)-1-benzyl-4-(tert-butoxycarbonylamino)pyrrolidin-1-ium-3-carboxylate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C[NH+](CC1C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1C[NH+](C[C@H]1C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-14-11-19(10-13(14)15(20)21)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,22)(H,20,21)/t13-,14-/m1/s1