1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(6-thiophen-2-ylpyrimidin-4-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(6-thiophen-2-ylpyrimidin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[6-(2-thienyl)pyrimidin-4-yl]oxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-[(6-thiophen-2-yl-4-pyrimidinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(6-thiophen-2-ylpyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[6-(2-thienyl)pyrimidin-4-yl]oxy-proline Formula: C24H32N4O6S MolecularWeight: 504.59908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC=NC(=C2)C3=CC=CS3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC=NC(=C2)C3=CC=CS3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H32N4O6S/c1-23(2,3)19(27-22(32)34-24(4,5)6)20(29)28-12-14(10-16(28)21(30)31)33-18-11-15(25-13-26-18)17-8-7-9-35-17/h7-9,11,13-14,16,19H,10,12H2,1-6H3,(H,27,32)(H,30,31)