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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,2,3,4-tetrahydroisoquinolin-1-ylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-[oxo(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-2-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)proline Formula: C20H26N2O5 MolecularWeight: 374.43084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1(C(=O)C2C3=CC=CC=C3CCN2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1(C(=O)C2C3=CC=CC=C3CCN2)C(=O)O

InChI

InChI=1S/C20H26N2O5/c1-19(2,3)27-18(26)22-12-6-10-20(22,17(24)25)16(23)15-14-8-5-4-7-13(14)9-11-21-15/h4-5,7-8,15,21H,6,9-12H2,1-3H3,(H,24,25)