1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-isoquinolin-1-yloxy-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-4-isoquinolin-1-yloxy-pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-(1-isoquinolyloxy)pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-3,3-dimethyl-1-oxobutyl)-N-[1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-4-(1-isoquinolinyloxy)-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3,3-dimethylbutanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-4-isoquinolin-1-yloxypyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-3,3-dimethyl-butanoyl)-N-[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-4-(1-isoquinolyloxy)pyrrolidine-2-carboxamide Formula: C29H37N5O6S MolecularWeight: 583.69898

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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=CC5=CC=CC=C54)N

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=CC5=CC=CC=C54)N

InChI

InChI=1S/C29H37N5O6S/c1-5-18-15-29(18,27(37)33-41(38,39)20-10-11-20)32-24(35)22-14-19(16-34(22)26(36)23(30)28(2,3)4)40-25-21-9-7-6-8-17(21)12-13-31-25/h5-9,12-13,18-20,22-23H,1,10-11,14-16,30H2,2-4H3,(H,32,35)(H,33,37)