3-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(E)-6-oxidanylidenehex-3-enoyl]-2-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(E)-6-oxidanylidenehex-3-enoyl]-2-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 3-tert-butoxycarbonyl-1-[(E)-6-oxohex-3-enoyl]-2-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-1,6-dioxohex-3-enyl]-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(E)-6-oxohex-3-enoyl]-2-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 3-tert-butoxycarbonyl-1-[(E)-6-ketohex-3-enoyl]-2-pyrrolidino-proline Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(C1(C(=O)O)N2CCCC2)C(=O)CC=CCC=O

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(C1(C(=O)O)N2CCCC2)C(=O)C/C=C/CC=O

InChI

InChI=1S/C20H30N2O6/c1-19(2,3)28-17(25)15-10-13-22(16(24)9-5-4-8-14-23)20(15,18(26)27)21-11-6-7-12-21/h4-5,14-15H,6-13H2,1-3H3,(H,26,27)/b5-4+