1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-(4-thiophen-2-ylpyrimidin-2-yl)oxy-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-(4-thiophen-2-ylpyrimidin-2-yl)oxy-pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-[4-(2-thienyl)pyrimidin-2-yl]oxy-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-N-[1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-4-[(4-thiophen-2-yl-2-pyrimidinyl)oxy]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-(4-thiophen-2-ylpyrimidin-2-yl)oxypyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-[4-(2-thienyl)pyrimidin-2-yl]oxy-pyrrolidine-2-carboxamide Formula: C28H36N6O6S2 MolecularWeight: 616.75204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=CC(=N4)C5=CC=CS5)N

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=CC(=N4)C5=CC=CS5)N

InChI

InChI=1S/C28H36N6O6S2/c1-5-16-14-28(16,25(37)33-42(38,39)18-8-9-18)32-23(35)20-13-17(15-34(20)24(36)22(29)27(2,3)4)40-26-30-11-10-19(31-26)21-7-6-12-41-21/h5-7,10-12,16-18,20,22H,1,8-9,13-15,29H2,2-4H3,(H,32,35)(H,33,37)