1-(2-azanyl-3,3-dimethyl-butanoyl)-4-(4-thiophen-2-ylpyrimidin-2-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-4-(4-thiophen-2-ylpyrimidin-2-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[4-(2-thienyl)pyrimidin-2-yl]oxy-pyrrolidine-2-carboxylic acid CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-4-[(4-thiophen-2-yl-2-pyrimidinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-4-(4-thiophen-2-ylpyrimidin-2-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-4-[4-(2-thienyl)pyrimidin-2-yl]oxy-proline Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC=CC(=N2)C3=CC=CS3)N

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC=CC(=N2)C3=CC=CS3)N

InChI

InChI=1S/C19H24N4O4S/c1-19(2,3)15(20)16(24)23-10-11(9-13(23)17(25)26)27-18-21-7-6-12(22-18)14-5-4-8-28-14/h4-8,11,13,15H,9-10,20H2,1-3H3,(H,25,26)