(2S,4S)-4-(3-bromanylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-(3-bromanylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-(3-bromophenoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-(3-bromophenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-(3-bromophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-(3-bromophenoxy)-1-tert-butoxycarbonyl-proline Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H20BrNO5/c1-16(2,3)23-15(21)18-9-12(8-13(18)14(19)20)22-11-6-4-5-10(17)7-11/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13-/m0/s1