(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-tert-butoxycarbonyl-4-(4-pyridylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(pyridin-4-ylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-tert-butoxycarbonyl-4-(4-pyridylmethyl)proline Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)CC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)CC2=CC=NC=C2

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-12(9-13(18)14(19)20)8-11-4-6-17-7-5-11/h4-7,12-13H,8-10H2,1-3H3,(H,19,20)/t12-,13+/m1/s1